N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium

C91H190N16+2 — CID 159738880

IUPACN,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium
SMILESCC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC([N+](C)(C)C)CC1.CC(C)N1CCC([N+]2(C)CCCC2)CC1.CC1CCN(C(C)C)CC1.[H]/N=C(\N)CC1CCN(C(C)C)CC1
InChIInChI=1S/C13H27N2.2C13H26N2.C12H24N2.C11H25N2.C10H21N3.C10H22N2.C9H19N/c1-12(2)14-8-6-13(7-9-14)15(3)10-4-5-11-15;2*1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-10(2)12-8-6-11(7-9-12)13(3,4)5;1-8(2)13-5-3-9(4-6-13)7-10(11)12;1-9(2)12-7-5-10(6-8-12)11(3)4;1-8(2)10-6-4-9(3)5-7-10/h12-13H,4-11H2,1-3H3;2*12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,6-9H2,1-5H3;8-9H,3-7H2,1-2H3,(H3,11,12);9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3/q+1;;;;+1;;;
InChIKeyNCEOPVVTCQBYOP-UHFFFAOYSA-N
MW1508.63 g/mol
LogP15.29
Rot. Bonds16

About N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium

N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium (PubChem CID 159738880) has the molecular formula C91H190N16+2 and a molecular weight of 1508.63 g/mol. Its IUPAC name is N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium.

Molecular Properties

Compound NameN,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium
PubChem CID159738880
Molecular FormulaC91H190N16+2
Molecular Weight1508.63 g/mol
Exact Mass1507.53
IUPAC NameN,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium
SMILESCC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC([N+](C)(C)C)CC1.CC(C)N1CCC([N+]2(C)CCCC2)CC1.CC1CCN(C(C)C)CC1.[H]/N=C(\N)CC1CCN(C(C)C)CC1
InChIInChI=1S/C13H27N2.2C13H26N2.C12H24N2.C11H25N2.C10H21N3.C10H22N2.C9H19N/c1-12(2)14-8-6-13(7-9-14)15(3)10-4-5-11-15;2*1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-10(2)12-8-6-11(7-9-12)13(3,4)5;1-8(2)13-5-3-9(4-6-13)7-10(11)12;1-9(2)12-7-5-10(6-8-12)11(3)4;1-8(2)10-6-4-9(3)5-7-10/h12-13H,4-11H2,1-3H3;2*12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,6-9H2,1-5H3;8-9H,3-7H2,1-2H3,(H3,11,12);9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3/q+1;;;;+1;;;
InChIKeyNCEOPVVTCQBYOP-UHFFFAOYSA-N
XLogP15.29
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001508.63
LogP ≤ 515.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium?
The IUPAC name of N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium (CID 159738880) is N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium.
What is the SMILES notation for N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium?
The canonical SMILES for N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium is CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC([N+](C)(C)C)CC1.CC(C)N1CCC([N+]2(C)CCCC2)CC1.CC1CCN(C(C)C)CC1.[H]/N=C(\N)CC1CCN(C(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium?
The InChIKey is NCEOPVVTCQBYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2.2C13H26N2.C12H24N2.C11H25N2.C10H21N3.C10H22N2.C9H19N/c1-12(2)14-8-6-13(7-9-14)15(3)10-4-5-11-15;2*1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-10(2)12-8-6-11(7-9-12)13(3,4)5;1-8(2)13-5-3-9(4-6-13)7-10(11)12;1-9(2)12-7-5-10(6-8-12)11(3)4;1-8(2)10-6-4-9(3)5-7-10/h12-13H,4-11H2,1-3H3;2*12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,6-9H2,1-5H3;8-9H,3-7H2,1-2H3,(H3,11,12);9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3/q+1;;;;+1;;;.
What are the key properties of N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium?
N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium has a molecular weight of 1508.63 g/mol, XLogP of 15.29, 16 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium is sourced from PubChem (CID 159738880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).