4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine

C27H56N4 — CID 158283976

IUPAC4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCC(C)(C)CC1.CC(C)N1CCN(C)CC1.CC1=CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C9H17N.C8H18N2/c1-9(2)11-7-5-10(3,4)6-8-11;2*1-8(2)10-6-4-9(3)5-7-10/h9H,5-8H2,1-4H3;4,8H,5-7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyGKNVVKRWYFSPKM-UHFFFAOYSA-N
MW436.77 g/mol
LogP5.21
Rot. Bonds3

About 4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine

4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine (PubChem CID 158283976) has the molecular formula C27H56N4 and a molecular weight of 436.77 g/mol. Its IUPAC name is 4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine
PubChem CID158283976
Molecular FormulaC27H56N4
Molecular Weight436.77 g/mol
Exact Mass436.45
IUPAC Name4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCC(C)(C)CC1.CC(C)N1CCN(C)CC1.CC1=CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C9H17N.C8H18N2/c1-9(2)11-7-5-10(3,4)6-8-11;2*1-8(2)10-6-4-9(3)5-7-10/h9H,5-8H2,1-4H3;4,8H,5-7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyGKNVVKRWYFSPKM-UHFFFAOYSA-N
XLogP5.21
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[1-(2-Butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine
CID 139498185
1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 154548754
1,4-dimethyl-3,6-dihydro-2H-pyridine;N-ethyl-1-methyl-N-tritriacontylpiperidin-4-amine;1,4,4-trimethylpiperidine
CID 157546288
methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
CID 157598202
1-Tert-butylpiperazin-4-ide;1-tert-butylpiperidin-4-ide;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten
CID 157721552
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine
CID 158248494
1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine
CID 158834320
1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane
CID 158905108
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 159061452
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane
CID 159241822
1-Tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium
CID 159521265
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
CID 159527241

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine?
The IUPAC name of 4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine (CID 158283976) is 4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for 4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine is CC(C)N1CCC(C)(C)CC1.CC(C)N1CCN(C)CC1.CC1=CCN(C(C)C)CC1.
What is the InChIKey of 4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine?
The InChIKey is GKNVVKRWYFSPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H17N.C8H18N2/c1-9(2)11-7-5-10(3,4)6-8-11;2*1-8(2)10-6-4-9(3)5-7-10/h9H,5-8H2,1-4H3;4,8H,5-7H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine?
4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine has a molecular weight of 436.77 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 158283976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).