methyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride

C16H24ClNO2 — CID 45259903

IUPACmethyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride
SMILESCCCN1CCCC(c2cccc(C(=O)OC)c2)C1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-3-9-17-10-5-8-15(12-17)13-6-4-7-14(11-13)16(18)19-2;/h4,6-7,11,15H,3,5,8-10,12H2,1-2H3;1H
InChIKeyLUACRMRIPKVZBN-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.48
Rot. Bonds4

About methyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride

methyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride (PubChem CID 45259903) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is methyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride
PubChem CID45259903
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Namemethyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride
SMILESCCCN1CCCC(c2cccc(C(=O)OC)c2)C1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-3-9-17-10-5-8-15(12-17)13-6-4-7-14(11-13)16(18)19-2;/h4,6-7,11,15H,3,5,8-10,12H2,1-2H3;1H
InChIKeyLUACRMRIPKVZBN-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperocaine
CID 10782
Piperocaine Hydrochloride
CID 10781
Benzoic acid 1-isopropyl-2,5-dimethyl-piperidin-4-yl ester
CID 586831
3-((S)-1-Propyl-piperidin-3-yl)-benzoic acid methyl ester
CID 10355305
Methyl 4-(piperidin-1-ylmethyl)benzoate
CID 782306
Elucaine
CID 32331
4-Piperidinol, 1-methyl-, benzoate, hydrochloride
CID 218206
(R)-((R)-1-Methyl-piperidin-2-yl)-m-tolyl-acetic acid methyl ester
CID 44273085
1-Methylpiperidin-4-yl 3-fluorobenzoate
CID 714836
1,3-Dimethyl-4-piperidinyl benzoate hydrochloride
CID 2827004
1-Methylpiperidin-3-yl 4-(tert-butyl)benzoate hydrochloride
CID 2930003
p-tert-Butylbenzoic acid 2-piperidinoethyl ester hydrochloride
CID 5744689

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride?
The IUPAC name of methyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride (CID 45259903) is methyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride.
What is the SMILES notation for methyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride?
The canonical SMILES for methyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride is CCCN1CCCC(c2cccc(C(=O)OC)c2)C1.Cl.
What is the InChIKey of methyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride?
The InChIKey is LUACRMRIPKVZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-3-9-17-10-5-8-15(12-17)13-6-4-7-14(11-13)16(18)19-2;/h4,6-7,11,15H,3,5,8-10,12H2,1-2H3;1H.
What are the key properties of methyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride?
methyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-propylpiperidin-3-yl)benzoate;hydrochloride is sourced from PubChem (CID 45259903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).