(3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one

C12H22N2O — CID 70275119

IUPAC(3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one
SMILESC[C@@H]1CCCCN1C[C@@H]1CNCCC1=O
InChIInChI=1S/C12H22N2O/c1-10-4-2-3-7-14(10)9-11-8-13-6-5-12(11)15/h10-11,13H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyDEOPVKYQRFTHOC-MNOVXSKESA-N
MW210.32 g/mol
LogP1.04
Rot. Bonds2

About (3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one

(3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one (PubChem CID 70275119) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one.

Molecular Properties

Compound Name(3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one
PubChem CID70275119
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one
SMILESC[C@@H]1CCCCN1C[C@@H]1CNCCC1=O
InChIInChI=1S/C12H22N2O/c1-10-4-2-3-7-14(10)9-11-8-13-6-5-12(11)15/h10-11,13H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyDEOPVKYQRFTHOC-MNOVXSKESA-N
XLogP1.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one?
The IUPAC name of (3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one (CID 70275119) is (3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one.
What is the SMILES notation for (3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one?
The canonical SMILES for (3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one is C[C@@H]1CCCCN1C[C@@H]1CNCCC1=O.
What is the InChIKey of (3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one?
The InChIKey is DEOPVKYQRFTHOC-MNOVXSKESA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-4-2-3-7-14(10)9-11-8-13-6-5-12(11)15/h10-11,13H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of (3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one?
(3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one has a molecular weight of 210.32 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one is sourced from PubChem (CID 70275119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).