(3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate

C16H29NO2 — CID 63123585

IUPAC(3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate
SMILESCC1CC(OC(=O)C2(C)CCNCC2)CC(C)(C)C1
InChIInChI=1S/C16H29NO2/c1-12-9-13(11-15(2,3)10-12)19-14(18)16(4)5-7-17-8-6-16/h12-13,17H,5-11H2,1-4H3
InChIKeyPVNPRBSUCWRWPE-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.13
Rot. Bonds2

About (3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate

(3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate (PubChem CID 63123585) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate
PubChem CID63123585
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate
SMILESCC1CC(OC(=O)C2(C)CCNCC2)CC(C)(C)C1
InChIInChI=1S/C16H29NO2/c1-12-9-13(11-15(2,3)10-12)19-14(18)16(4)5-7-17-8-6-16/h12-13,17H,5-11H2,1-4H3
InChIKeyPVNPRBSUCWRWPE-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate?
The IUPAC name of (3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate (CID 63123585) is (3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate.
What is the SMILES notation for (3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate?
The canonical SMILES for (3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate is CC1CC(OC(=O)C2(C)CCNCC2)CC(C)(C)C1.
What is the InChIKey of (3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate?
The InChIKey is PVNPRBSUCWRWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12-9-13(11-15(2,3)10-12)19-14(18)16(4)5-7-17-8-6-16/h12-13,17H,5-11H2,1-4H3.
What are the key properties of (3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate?
(3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate is sourced from PubChem (CID 63123585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).