3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride

C16H24ClNO3 — CID 3051416

IUPAC3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride
SMILESCC1CCCCN1CCCOC(=O)c1ccccc1O.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-13-7-4-5-10-17(13)11-6-12-20-16(19)14-8-2-3-9-15(14)18;/h2-3,8-9,13,18H,4-7,10-12H2,1H3;1H
InChIKeyJWWXCTWMACRUBN-UHFFFAOYSA-N
MW313.82 g/mol
LogP3.24
Rot. Bonds5

About 3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride

3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride (PubChem CID 3051416) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride
PubChem CID3051416
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride
SMILESCC1CCCCN1CCCOC(=O)c1ccccc1O.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-13-7-4-5-10-17(13)11-6-12-20-16(19)14-8-2-3-9-15(14)18;/h2-3,8-9,13,18H,4-7,10-12H2,1H3;1H
InChIKeyJWWXCTWMACRUBN-UHFFFAOYSA-N
XLogP3.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylpiperidin-1-yl)propyl 2-iodobenzoate;hydrochloride
CID 138401149
3-(2-methylpiperidin-1-yl)propyl 2-benzoylbenzoate;hydrochloride
CID 138401134
3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride
CID 3050997
3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride
CID 138401109
3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride
CID 3051498
3-(2-methylpiperidin-1-yl)propyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
CID 3070419
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
2-piperidin-1-ylethyl 2-hydroxybenzoate
CID 12633972
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
3-(2-propan-2-ylpiperidin-1-yl)propyl benzoate;hydrochloride
CID 138401152
3-(2-methylpiperidin-1-yl)propyl 3,6-dimethyl-1-benzofuran-2-carboxylate;hydrochloride
CID 134109001
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride?
The IUPAC name of 3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride (CID 3051416) is 3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride is CC1CCCCN1CCCOC(=O)c1ccccc1O.Cl.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride?
The InChIKey is JWWXCTWMACRUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-13-7-4-5-10-17(13)11-6-12-20-16(19)14-8-2-3-9-15(14)18;/h2-3,8-9,13,18H,4-7,10-12H2,1H3;1H.
What are the key properties of 3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride?
3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride has a molecular weight of 313.82 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride is sourced from PubChem (CID 3051416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).