1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one

C16H30N2O2 — CID 155721096

IUPAC1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(CN2CCC(O)CC2C)CC1
InChIInChI=1S/C16H30N2O2/c1-3-4-16(20)17-8-5-14(6-9-17)12-18-10-7-15(19)11-13(18)2/h13-15,19H,3-12H2,1-2H3
InChIKeyKTTXBVJLTBYCME-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.87
Rot. Bonds4

About 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one

1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one (PubChem CID 155721096) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
PubChem CID155721096
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(CN2CCC(O)CC2C)CC1
InChIInChI=1S/C16H30N2O2/c1-3-4-16(20)17-8-5-14(6-9-17)12-18-10-7-15(19)11-13(18)2/h13-15,19H,3-12H2,1-2H3
InChIKeyKTTXBVJLTBYCME-UHFFFAOYSA-N
XLogP1.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
Tert-butyl 4-[2-(4-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11501010
(4-Hydroxypiperidin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 84458625
1-(4-Hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 127011430
Butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 140051646
1-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]butan-1-one
CID 155286437
cyclopropyl-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 155286569
2-methyl-1-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 155286616
3-methyl-1-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]butan-1-one
CID 155286674
1-[4-[[(2R,3R,4R)-3,4-dihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 155302773
1-[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 155721017

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one (CID 155721096) is 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(CN2CCC(O)CC2C)CC1.
What is the InChIKey of 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one?
The InChIKey is KTTXBVJLTBYCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-4-16(20)17-8-5-14(6-9-17)12-18-10-7-15(19)11-13(18)2/h13-15,19H,3-12H2,1-2H3.
What are the key properties of 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one?
1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one has a molecular weight of 282.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 155721096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).