(3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine

C13H25NO — CID 66580755

IUPAC(3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine
SMILESC[C@H]1CCCN(CCC2CCOCC2)C1
InChIInChI=1S/C13H25NO/c1-12-3-2-7-14(11-12)8-4-13-5-9-15-10-6-13/h12-13H,2-11H2,1H3/t12-/m0/s1
InChIKeyAKDZAPVQKRUUBL-LBPRGKRZSA-N
MW211.35 g/mol
LogP2.54
Rot. Bonds3

About (3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine

(3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine (PubChem CID 66580755) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine
PubChem CID66580755
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine
SMILESC[C@H]1CCCN(CCC2CCOCC2)C1
InChIInChI=1S/C13H25NO/c1-12-3-2-7-14(11-12)8-4-13-5-9-15-10-6-13/h12-13H,2-11H2,1H3/t12-/m0/s1
InChIKeyAKDZAPVQKRUUBL-LBPRGKRZSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine?
The IUPAC name of (3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine (CID 66580755) is (3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine.
What is the SMILES notation for (3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine?
The canonical SMILES for (3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine is C[C@H]1CCCN(CCC2CCOCC2)C1.
What is the InChIKey of (3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine?
The InChIKey is AKDZAPVQKRUUBL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25NO/c1-12-3-2-7-14(11-12)8-4-13-5-9-15-10-6-13/h12-13H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine?
(3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine has a molecular weight of 211.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[2-(oxan-4-yl)ethyl]piperidine is sourced from PubChem (CID 66580755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).