3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine

C12H23NO — CID 138580415

IUPAC3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine
SMILESC[C@H]1CCOC(CC2CCCNC2)C1
InChIInChI=1S/C12H23NO/c1-10-4-6-14-12(7-10)8-11-3-2-5-13-9-11/h10-13H,2-9H2,1H3/t10-,11?,12?/m0/s1
InChIKeyUSXUTPRYBFWSBL-UNXYVOJBSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds2

About 3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine

3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine (PubChem CID 138580415) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine
PubChem CID138580415
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine
SMILESC[C@H]1CCOC(CC2CCCNC2)C1
InChIInChI=1S/C12H23NO/c1-10-4-6-14-12(7-10)8-11-3-2-5-13-9-11/h10-13H,2-9H2,1H3/t10-,11?,12?/m0/s1
InChIKeyUSXUTPRYBFWSBL-UNXYVOJBSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4R)-2-(fluoromethyl)-4-methyloxane
CID 170380668
N-(piperidin-3-ylmethyl)-N,2-dipropyloxan-4-amine
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N-(piperidin-3-ylmethyl)-N-propan-2-yl-2-propyloxan-4-amine
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Frequently Asked Questions

What is the IUPAC name of 3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine?
The IUPAC name of 3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine (CID 138580415) is 3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine.
What is the SMILES notation for 3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine?
The canonical SMILES for 3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine is C[C@H]1CCOC(CC2CCCNC2)C1.
What is the InChIKey of 3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine?
The InChIKey is USXUTPRYBFWSBL-UNXYVOJBSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-4-6-14-12(7-10)8-11-3-2-5-13-9-11/h10-13H,2-9H2,1H3/t10-,11?,12?/m0/s1.
What are the key properties of 3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine?
3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine is sourced from PubChem (CID 138580415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).