methyl 3-piperidin-1-ylpropanoate;hydrochloride

C9H18ClNO2 — CID 22077061

IUPACmethyl 3-piperidin-1-ylpropanoate;hydrochloride
SMILESCOC(=O)CCN1CCCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-12-9(11)5-8-10-6-3-2-4-7-10;/h2-8H2,1H3;1H
InChIKeyWGPCWIFDCIHCJC-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.46
Rot. Bonds3

About methyl 3-piperidin-1-ylpropanoate;hydrochloride

methyl 3-piperidin-1-ylpropanoate;hydrochloride (PubChem CID 22077061) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is methyl 3-piperidin-1-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-piperidin-1-ylpropanoate;hydrochloride
PubChem CID22077061
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Namemethyl 3-piperidin-1-ylpropanoate;hydrochloride
SMILESCOC(=O)CCN1CCCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-12-9(11)5-8-10-6-3-2-4-7-10;/h2-8H2,1H3;1H
InChIKeyWGPCWIFDCIHCJC-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-piperidin-1-ylpropanoate;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

methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
methyl 4-(azocan-1-yl)butanoate
CID 43377737
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
methyl 3-(4-acetyl-1,4-diazepan-1-yl)propanoate
CID 60699890
methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate
CID 62010889
methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate
CID 113252132
ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate
CID 143593823
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate
CID 78918620
methyl 3-(4-trimethylsilylpiperazin-1-yl)propanoate
CID 140660761
methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate
CID 95154053
methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate
CID 60745212

Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-1-ylpropanoate;hydrochloride?
The IUPAC name of methyl 3-piperidin-1-ylpropanoate;hydrochloride (CID 22077061) is methyl 3-piperidin-1-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-piperidin-1-ylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-piperidin-1-ylpropanoate;hydrochloride is COC(=O)CCN1CCCCC1.Cl.
What is the InChIKey of methyl 3-piperidin-1-ylpropanoate;hydrochloride?
The InChIKey is WGPCWIFDCIHCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-12-9(11)5-8-10-6-3-2-4-7-10;/h2-8H2,1H3;1H.
What are the key properties of methyl 3-piperidin-1-ylpropanoate;hydrochloride?
methyl 3-piperidin-1-ylpropanoate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperidin-1-ylpropanoate;hydrochloride is sourced from PubChem (CID 22077061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).