4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one

C137H282N24O9 — CID 158080495

IUPAC4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1=O.CC(C)N1CCOCC1=O.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CNC(=O)C1CCN(C(C)C)CC1.[C-]#[N+]C1CCN(C(C)C)CC1
InChIInChI=1S/C10H20N2O.C10H21N.C9H18N2O.C9H20N2.C9H16N2.C9H19NO.2C9H19N.2C8H16N2O.2C8H18N2.C8H17NO.C8H15NO.C8H17N.C7H13NO2/c1-8(2)12-6-4-9(5-7-12)10(13)11-3;1-9(2)11-7-5-10(3,4)6-8-11;1-7(2)11-5-3-8(4-6-11)9(10)12;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-6-4-9(10-3)5-7-11;1-8(2)10-6-4-9(3,11)5-7-10;2*1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9(3)8(11)6-10;1-7(2)10-5-4-9(3)6-8(10)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-6-4-3-5-8(9)10;1-8(2)9-6-4-3-5-7-9;1-6(2)8-3-4-10-5-7(8)9/h8-9H,4-7H2,1-3H3,(H,11,13);9H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3,(H2,10,12);8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-2H3;8,11H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyFMWXBHRLTHJEBQ-UHFFFAOYSA-N
MW2409.92 g/mol
LogP18.46
Rot. Bonds19

About 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one

4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one (PubChem CID 158080495) has the molecular formula C137H282N24O9 and a molecular weight of 2409.92 g/mol. Its IUPAC name is 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one
PubChem CID158080495
Molecular FormulaC137H282N24O9
Molecular Weight2409.92 g/mol
Exact Mass2408.23
IUPAC Name4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1=O.CC(C)N1CCOCC1=O.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CNC(=O)C1CCN(C(C)C)CC1.[C-]#[N+]C1CCN(C(C)C)CC1
InChIInChI=1S/C10H20N2O.C10H21N.C9H18N2O.C9H20N2.C9H16N2.C9H19NO.2C9H19N.2C8H16N2O.2C8H18N2.C8H17NO.C8H15NO.C8H17N.C7H13NO2/c1-8(2)12-6-4-9(5-7-12)10(13)11-3;1-9(2)11-7-5-10(3,4)6-8-11;1-7(2)11-5-3-8(4-6-11)9(10)12;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-6-4-9(10-3)5-7-11;1-8(2)10-6-4-9(3,11)5-7-10;2*1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9(3)8(11)6-10;1-7(2)10-5-4-9(3)6-8(10)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-6-4-3-5-8(9)10;1-8(2)9-6-4-3-5-7-9;1-6(2)8-3-4-10-5-7(8)9/h8-9H,4-7H2,1-3H3,(H,11,13);9H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3,(H2,10,12);8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-2H3;8,11H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyFMWXBHRLTHJEBQ-UHFFFAOYSA-N
XLogP18.46
TPSA285.34 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002409.92
LogP ≤ 518.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one?
The IUPAC name of 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one (CID 158080495) is 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one is CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1=O.CC(C)N1CCOCC1=O.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CNC(=O)C1CCN(C(C)C)CC1.[C-]#[N+]C1CCN(C(C)C)CC1.
What is the InChIKey of 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one?
The InChIKey is FMWXBHRLTHJEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C10H21N.C9H18N2O.C9H20N2.C9H16N2.C9H19NO.2C9H19N.2C8H16N2O.2C8H18N2.C8H17NO.C8H15NO.C8H17N.C7H13NO2/c1-8(2)12-6-4-9(5-7-12)10(13)11-3;1-9(2)11-7-5-10(3,4)6-8-11;1-7(2)11-5-3-8(4-6-11)9(10)12;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-6-4-9(10-3)5-7-11;1-8(2)10-6-4-9(3,11)5-7-10;2*1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9(3)8(11)6-10;1-7(2)10-5-4-9(3)6-8(10)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-6-4-3-5-8(9)10;1-8(2)9-6-4-3-5-7-9;1-6(2)8-3-4-10-5-7(8)9/h8-9H,4-7H2,1-3H3,(H,11,13);9H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3,(H2,10,12);8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-2H3;8,11H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one?
4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one has a molecular weight of 2409.92 g/mol, XLogP of 18.46, 19 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpiperidine-4-carboxamide;4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 158080495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).