1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one

C15H28N2O2 — CID 157039274

IUPAC1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(CN2CCC(O)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-2-3-15(19)17-10-4-13(5-11-17)12-16-8-6-14(18)7-9-16/h13-14,18H,2-12H2,1H3
InChIKeyKRLOWCGMVYOMHX-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.48
Rot. Bonds4

About 1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one

1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one (PubChem CID 157039274) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
PubChem CID157039274
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(CN2CCC(O)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-2-3-15(19)17-10-4-13(5-11-17)12-16-8-6-14(18)7-9-16/h13-14,18H,2-12H2,1H3
InChIKeyKRLOWCGMVYOMHX-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Hydroxypiperidin-1-yl)butan-1-one
CID 23295198
1-(4-Hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 18340851
2-Ethyl-1-{4-[(1-methyl-4-piperidyl)oxy]piperidino}-1-butanone
CID 91916415
2-(4-Hydroxypiperidin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 45797184
4-Piperidinol, 1-(4-piperidinylacetyl)-
CID 10036651
(3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one
CID 139353882
1-[4-[(3-Fluoro-4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone
CID 156707412
4-[2-(3-Fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidine-1-carbonyl fluoride
CID 165116564
1-[4-[2-(3-Fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 171550650
1-[3-[4-[(Dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 168452838
(4-Hydroxypiperidin-1-yl)-piperidin-4-ylmethanone
CID 18072788
tert-Butyl 4-(2-(4-hydroxypiperidin-1-yl)-2-oxoethyl)piperidine-1-carboxylate
CID 20792751

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one (CID 157039274) is 1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(CN2CCC(O)CC2)CC1.
What is the InChIKey of 1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one?
The InChIKey is KRLOWCGMVYOMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-3-15(19)17-10-4-13(5-11-17)12-16-8-6-14(18)7-9-16/h13-14,18H,2-12H2,1H3.
What are the key properties of 1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one?
1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 157039274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).