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

C16H21NO2 — CID 138382236

IUPAC[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(C2(O)CC2)CC1
InChIInChI=1S/C16H21NO2/c1-12-4-2-3-5-14(12)15(18)17-10-6-13(7-11-17)16(19)8-9-16/h2-5,13,19H,6-11H2,1H3
InChIKeyNZSOMPLDVXGPNH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.37
Rot. Bonds2

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

[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 138382236) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone
PubChem CID138382236
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(C2(O)CC2)CC1
InChIInChI=1S/C16H21NO2/c1-12-4-2-3-5-14(12)15(18)17-10-6-13(7-11-17)16(19)8-9-16/h2-5,13,19H,6-11H2,1H3
InChIKeyNZSOMPLDVXGPNH-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

[3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
CID 138381659
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 112537576
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 70253538
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
(2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786844
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
CID 108566970
2-[1-(2-methylbenzoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082504
3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
CID 138384043

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone (CID 138382236) is [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCC(C2(O)CC2)CC1.
What is the InChIKey of [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is NZSOMPLDVXGPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-4-2-3-5-14(12)15(18)17-10-6-13(7-11-17)16(19)8-9-16/h2-5,13,19H,6-11H2,1H3.
What are the key properties of [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone?
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 138382236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).