1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride

C16H24ClNO3 — CID 52998166

IUPAC1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride
SMILESCOc1ccccc1C(=O)OC(C)CN1CCCCC1.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-13(12-17-10-6-3-7-11-17)20-16(18)14-8-4-5-9-15(14)19-2;/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3;1H
InChIKeyDUWONFAUWZSEQF-UHFFFAOYSA-N
MW313.82 g/mol
LogP3.15
Rot. Bonds5

About 1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride

1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride (PubChem CID 52998166) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride
PubChem CID52998166
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride
SMILESCOc1ccccc1C(=O)OC(C)CN1CCCCC1.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-13(12-17-10-6-3-7-11-17)20-16(18)14-8-4-5-9-15(14)19-2;/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3;1H
InChIKeyDUWONFAUWZSEQF-UHFFFAOYSA-N
XLogP3.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-ylpropan-2-yl 2-methylbenzoate
CID 2928894
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 2-chlorobenzoate
CID 755745
[(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate
CID 1327012
1-piperidin-1-ylpropan-2-yl 2-bromobenzoate
CID 2912544
1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 2-methoxybenzoate
CID 3954473
1-piperidin-1-ium-1-ylpropan-2-yl 2-methoxybenzoate
CID 3595856
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 937091
[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
CID 848692
1-pyrrolidin-1-ylpropan-2-yl 4-methylbenzoate
CID 3152959
1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenyl-2,3-dihydrochromene-8-carboxylate;hydrate;hydrochloride
CID 21154716
1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
CID 3070434
1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777985

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride (CID 52998166) is 1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride is COc1ccccc1C(=O)OC(C)CN1CCCCC1.Cl.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride?
The InChIKey is DUWONFAUWZSEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-13(12-17-10-6-3-7-11-17)20-16(18)14-8-4-5-9-15(14)19-2;/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3;1H.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride?
1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride has a molecular weight of 313.82 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride is sourced from PubChem (CID 52998166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).