(3S)-1-methyl-3-(oxan-4-yl)piperidine

C11H21NO — CID 155204536

IUPAC(3S)-1-methyl-3-(oxan-4-yl)piperidine
SMILESCN1CCC[C@@H](C2CCOCC2)C1
InChIInChI=1S/C11H21NO/c1-12-6-2-3-11(9-12)10-4-7-13-8-5-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyIPKZHRRMANGQOV-LLVKDONJSA-N
MW183.29 g/mol
LogP1.75
Rot. Bonds1

About (3S)-1-methyl-3-(oxan-4-yl)piperidine

(3S)-1-methyl-3-(oxan-4-yl)piperidine (PubChem CID 155204536) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3S)-1-methyl-3-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-methyl-3-(oxan-4-yl)piperidine
PubChem CID155204536
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3S)-1-methyl-3-(oxan-4-yl)piperidine
SMILESCN1CCC[C@@H](C2CCOCC2)C1
InChIInChI=1S/C11H21NO/c1-12-6-2-3-11(9-12)10-4-7-13-8-5-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyIPKZHRRMANGQOV-LLVKDONJSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-(oxan-4-yl)piperidine?
The IUPAC name of (3S)-1-methyl-3-(oxan-4-yl)piperidine (CID 155204536) is (3S)-1-methyl-3-(oxan-4-yl)piperidine.
What is the SMILES notation for (3S)-1-methyl-3-(oxan-4-yl)piperidine?
The canonical SMILES for (3S)-1-methyl-3-(oxan-4-yl)piperidine is CN1CCC[C@@H](C2CCOCC2)C1.
What is the InChIKey of (3S)-1-methyl-3-(oxan-4-yl)piperidine?
The InChIKey is IPKZHRRMANGQOV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21NO/c1-12-6-2-3-11(9-12)10-4-7-13-8-5-10/h10-11H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of (3S)-1-methyl-3-(oxan-4-yl)piperidine?
(3S)-1-methyl-3-(oxan-4-yl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-(oxan-4-yl)piperidine is sourced from PubChem (CID 155204536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).