1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one

C19H29NO2 — CID 109378494

IUPAC1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one
SMILESCC(C)Cc1ccc(CCCC(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C19H29NO2/c1-15(2)14-17-8-6-16(7-9-17)4-3-5-19(22)20-12-10-18(21)11-13-20/h6-9,15,18,21H,3-5,10-14H2,1-2H3
InChIKeyJZGXSACHGJQZHA-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.19
Rot. Bonds6

About 1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one

1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one (PubChem CID 109378494) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one
PubChem CID109378494
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one
SMILESCC(C)Cc1ccc(CCCC(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C19H29NO2/c1-15(2)14-17-8-6-16(7-9-17)4-3-5-19(22)20-12-10-18(21)11-13-20/h6-9,15,18,21H,3-5,10-14H2,1-2H3
InChIKeyJZGXSACHGJQZHA-UHFFFAOYSA-N
XLogP3.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
1-[4-[4-(2-methylpropyl)phenyl]piperidin-1-yl]pentan-1-one
CID 171554333
4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 110897013
3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one
CID 95477399
2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393419
1-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 111561727
N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 171500112
3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43416045
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 19872420
1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 90590148
4-[cyclopropyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 19872408

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one (CID 109378494) is 1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one is CC(C)Cc1ccc(CCCC(=O)N2CCC(O)CC2)cc1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one?
The InChIKey is JZGXSACHGJQZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15(2)14-17-8-6-16(7-9-17)4-3-5-19(22)20-12-10-18(21)11-13-20/h6-9,15,18,21H,3-5,10-14H2,1-2H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one?
1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one has a molecular weight of 303.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one is sourced from PubChem (CID 109378494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).