1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine

C24H47N — CID 158145393

IUPAC1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine
SMILESCC(C)(C)CC1CCC(CCCC2CCN(CC(C)(C)C)CC2)CC1
InChIInChI=1S/C24H47N/c1-23(2,3)18-22-12-10-20(11-13-22)8-7-9-21-14-16-25(17-15-21)19-24(4,5)6/h20-22H,7-19H2,1-6H3
InChIKeyVIJUBVYVHGRCGI-UHFFFAOYSA-N
MW349.65 g/mol
LogP7.16
Rot. Bonds6

About 1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine

1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine (PubChem CID 158145393) has the molecular formula C24H47N and a molecular weight of 349.65 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine
PubChem CID158145393
Molecular FormulaC24H47N
Molecular Weight349.65 g/mol
Exact Mass349.37
IUPAC Name1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine
SMILESCC(C)(C)CC1CCC(CCCC2CCN(CC(C)(C)C)CC2)CC1
InChIInChI=1S/C24H47N/c1-23(2,3)18-22-12-10-20(11-13-22)8-7-9-21-14-16-25(17-15-21)19-24(4,5)6/h20-22H,7-19H2,1-6H3
InChIKeyVIJUBVYVHGRCGI-UHFFFAOYSA-N
XLogP7.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.65
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine (CID 158145393) is 1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine is CC(C)(C)CC1CCC(CCCC2CCN(CC(C)(C)C)CC2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine?
The InChIKey is VIJUBVYVHGRCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N/c1-23(2,3)18-22-12-10-20(11-13-22)8-7-9-21-14-16-25(17-15-21)19-24(4,5)6/h20-22H,7-19H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine?
1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine has a molecular weight of 349.65 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine is sourced from PubChem (CID 158145393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).