(4S)-4-methyl-2-(oxepan-2-yl)piperidine

C12H23NO — CID 134331407

IUPAC(4S)-4-methyl-2-(oxepan-2-yl)piperidine
SMILESC[C@H]1CCNC(C2CCCCCO2)C1
InChIInChI=1S/C12H23NO/c1-10-6-7-13-11(9-10)12-5-3-2-4-8-14-12/h10-13H,2-9H2,1H3/t10-,11?,12?/m0/s1
InChIKeyDVZKIBVHMWASQD-UNXYVOJBSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds1

About (4S)-4-methyl-2-(oxepan-2-yl)piperidine

(4S)-4-methyl-2-(oxepan-2-yl)piperidine (PubChem CID 134331407) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (4S)-4-methyl-2-(oxepan-2-yl)piperidine.

Molecular Properties

Compound Name(4S)-4-methyl-2-(oxepan-2-yl)piperidine
PubChem CID134331407
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(4S)-4-methyl-2-(oxepan-2-yl)piperidine
SMILESC[C@H]1CCNC(C2CCCCCO2)C1
InChIInChI=1S/C12H23NO/c1-10-6-7-13-11(9-10)12-5-3-2-4-8-14-12/h10-13H,2-9H2,1H3/t10-,11?,12?/m0/s1
InChIKeyDVZKIBVHMWASQD-UNXYVOJBSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-(oxepan-2-yl)piperidine?
The IUPAC name of (4S)-4-methyl-2-(oxepan-2-yl)piperidine (CID 134331407) is (4S)-4-methyl-2-(oxepan-2-yl)piperidine.
What is the SMILES notation for (4S)-4-methyl-2-(oxepan-2-yl)piperidine?
The canonical SMILES for (4S)-4-methyl-2-(oxepan-2-yl)piperidine is C[C@H]1CCNC(C2CCCCCO2)C1.
What is the InChIKey of (4S)-4-methyl-2-(oxepan-2-yl)piperidine?
The InChIKey is DVZKIBVHMWASQD-UNXYVOJBSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-6-7-13-11(9-10)12-5-3-2-4-8-14-12/h10-13H,2-9H2,1H3/t10-,11?,12?/m0/s1.
What are the key properties of (4S)-4-methyl-2-(oxepan-2-yl)piperidine?
(4S)-4-methyl-2-(oxepan-2-yl)piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-(oxepan-2-yl)piperidine is sourced from PubChem (CID 134331407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).