1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride

C16H24ClNO2 — CID 138401154

IUPAC1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride
SMILESCC1CCCN(CC(C)OC(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-13-7-6-10-17(11-13)12-14(2)19-16(18)15-8-4-3-5-9-15;/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3;1H
InChIKeyFBTBKQSLFCOWMF-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.39
Rot. Bonds4

About 1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride

1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride (PubChem CID 138401154) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride
PubChem CID138401154
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride
SMILESCC1CCCN(CC(C)OC(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-13-7-6-10-17(11-13)12-14(2)19-16(18)15-8-4-3-5-9-15;/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3;1H
InChIKeyFBTBKQSLFCOWMF-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride 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

[(2S)-1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-2-yl] benzoate
CID 92858858
[(2S)-1-(cyclohexylamino)propan-2-yl] benzoate;hydrochloride
CID 66584128
[(2R)-1-(cyclohexylamino)propan-2-yl] benzoate
CID 57202485
1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate
CID 134098309
1-pyrrolidin-1-ylpropan-2-yl 4-methylbenzoate
CID 3152959
N-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 1118538
[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
CID 848692
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 47379683
1-piperidin-1-ylpropan-2-yl 3-chlorobenzoate
CID 5094446
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 2-chlorobenzoate
CID 755745

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride?
The IUPAC name of 1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride (CID 138401154) is 1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride is CC1CCCN(CC(C)OC(=O)c2ccccc2)C1.Cl.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride?
The InChIKey is FBTBKQSLFCOWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-13-7-6-10-17(11-13)12-14(2)19-16(18)15-8-4-3-5-9-15;/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3;1H.
What are the key properties of 1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride?
1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride is sourced from PubChem (CID 138401154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).