1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride

C15H21Cl2NO2 — CID 2911435

IUPAC1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride
SMILESCC(CN1CCCCC1)OC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H20ClNO2.ClH/c1-12(11-17-9-3-2-4-10-17)19-15(18)13-5-7-14(16)8-6-13;/h5-8,12H,2-4,9-11H2,1H3;1H
InChIKeyVVPPWNKENATPFM-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.79
Rot. Bonds4

About 1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride

1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride (PubChem CID 2911435) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride
PubChem CID2911435
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride
SMILESCC(CN1CCCCC1)OC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H20ClNO2.ClH/c1-12(11-17-9-3-2-4-10-17)19-15(18)13-5-7-14(16)8-6-13;/h5-8,12H,2-4,9-11H2,1H3;1H
InChIKeyVVPPWNKENATPFM-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride (CID 2911435) is 1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride is CC(CN1CCCCC1)OC(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride?
The InChIKey is VVPPWNKENATPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2.ClH/c1-12(11-17-9-3-2-4-10-17)19-15(18)13-5-7-14(16)8-6-13;/h5-8,12H,2-4,9-11H2,1H3;1H.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride?
1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride has a molecular weight of 318.24 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 4-chlorobenzoate;hydrochloride is sourced from PubChem (CID 2911435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).