[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone

C16H23NO2 — CID 112537576

IUPAC[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCCC(O)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C16H23NO2/c1-3-15(18)13-8-10-17(11-9-13)16(19)14-7-5-4-6-12(14)2/h4-7,13,15,18H,3,8-11H2,1-2H3
InChIKeyKSZNICMUYNITLY-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.62
Rot. Bonds3

About [4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone

[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 112537576) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone
PubChem CID112537576
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCCC(O)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C16H23NO2/c1-3-15(18)13-8-10-17(11-9-13)16(19)14-7-5-4-6-12(14)2/h4-7,13,15,18H,3,8-11H2,1-2H3
InChIKeyKSZNICMUYNITLY-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365362
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 138382236
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 63337883
2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 46031954
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307
2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46019100
1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365357
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone (CID 112537576) is [4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone is CCC(O)C1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of [4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is KSZNICMUYNITLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-15(18)13-8-10-17(11-9-13)16(19)14-7-5-4-6-12(14)2/h4-7,13,15,18H,3,8-11H2,1-2H3.
What are the key properties of [4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone?
[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 261.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 112537576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).