1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone

C13H24N2O2 — CID 129394622

IUPAC1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
SMILESC[C@H]1CN(C(=O)CC2CCNCC2)CC[C@H]1O
InChIInChI=1S/C13H24N2O2/c1-10-9-15(7-4-12(10)16)13(17)8-11-2-5-14-6-3-11/h10-12,14,16H,2-9H2,1H3/t10-,12+/m0/s1
InChIKeyCTDQRSDJJRZCGR-CMPLNLGQSA-N
MW240.35 g/mol
LogP0.61
Rot. Bonds2

About 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone

1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone (PubChem CID 129394622) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
PubChem CID129394622
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
SMILESC[C@H]1CN(C(=O)CC2CCNCC2)CC[C@H]1O
InChIInChI=1S/C13H24N2O2/c1-10-9-15(7-4-12(10)16)13(17)8-11-2-5-14-6-3-11/h10-12,14,16H,2-9H2,1H3/t10-,12+/m0/s1
InChIKeyCTDQRSDJJRZCGR-CMPLNLGQSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S)-azepan-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 171359256
4-Piperidinol, 1-(4-piperidinylacetyl)-
CID 10036651
(3-Methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 110012050
N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111433665
N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 112310238
N-(3-hydroxypropyl)-1-methylpiperidine-4-carboxamide
CID 15068852
(4-Hydroxy-1-piperidyl)(3-piperidyl)methanone
CID 17998933
(4-Hydroxypiperidin-1-yl)-piperidin-4-ylmethanone
CID 18072788
(4-Methoxypiperidin-1-yl)-piperidin-4-ylmethanone
CID 43373185
1-(Piperidine-4-carbonyl)piperidin-3-ol
CID 43503095
1-(3-(Hydroxymethyl)piperidin-1-yl)-2-(piperidin-4-yl)ethan-1-one
CID 43590540
3-Hydroxy-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 53739041

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone?
The IUPAC name of 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone (CID 129394622) is 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone?
The canonical SMILES for 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone is C[C@H]1CN(C(=O)CC2CCNCC2)CC[C@H]1O.
What is the InChIKey of 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone?
The InChIKey is CTDQRSDJJRZCGR-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-9-15(7-4-12(10)16)13(17)8-11-2-5-14-6-3-11/h10-12,14,16H,2-9H2,1H3/t10-,12+/m0/s1.
What are the key properties of 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone?
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone has a molecular weight of 240.35 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 129394622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).