1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine

C18H35N — CID 70971558

IUPAC1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine
SMILESCC1CCN([C@@H]2CC[C@@H](C(C)(C)C)C(C)(C)C2)CC1
InChIInChI=1S/C18H35N/c1-14-9-11-19(12-10-14)15-7-8-16(17(2,3)4)18(5,6)13-15/h14-16H,7-13H2,1-6H3/t15-,16+/m1/s1
InChIKeyBIFAXRHASVPGPH-CVEARBPZSA-N
MW265.48 g/mol
LogP4.96
Rot. Bonds1

About 1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine

1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine (PubChem CID 70971558) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine
PubChem CID70971558
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine
SMILESCC1CCN([C@@H]2CC[C@@H](C(C)(C)C)C(C)(C)C2)CC1
InChIInChI=1S/C18H35N/c1-14-9-11-19(12-10-14)15-7-8-16(17(2,3)4)18(5,6)13-15/h14-16H,7-13H2,1-6H3/t15-,16+/m1/s1
InChIKeyBIFAXRHASVPGPH-CVEARBPZSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine?
The IUPAC name of 1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine (CID 70971558) is 1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine?
The canonical SMILES for 1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine is CC1CCN([C@@H]2CC[C@@H](C(C)(C)C)C(C)(C)C2)CC1.
What is the InChIKey of 1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine?
The InChIKey is BIFAXRHASVPGPH-CVEARBPZSA-N. The full InChI is InChI=1S/C18H35N/c1-14-9-11-19(12-10-14)15-7-8-16(17(2,3)4)18(5,6)13-15/h14-16H,7-13H2,1-6H3/t15-,16+/m1/s1.
What are the key properties of 1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine?
1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine has a molecular weight of 265.48 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine is sourced from PubChem (CID 70971558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).