1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride

C10H18ClNO2 — CID 53393263

IUPAC1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(CC2CC2)C1
InChIInChI=1S/C10H17NO2.ClH/c12-10(13)9-2-1-5-11(7-9)6-8-3-4-8;/h8-9H,1-7H2,(H,12,13);1H
InChIKeyLUTGIGJUVLYXSJ-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.61
Rot. Bonds3

About 1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride

1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride (PubChem CID 53393263) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
PubChem CID53393263
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(CC2CC2)C1
InChIInChI=1S/C10H17NO2.ClH/c12-10(13)9-2-1-5-11(7-9)6-8-3-4-8;/h8-9H,1-7H2,(H,12,13);1H
InChIKeyLUTGIGJUVLYXSJ-UHFFFAOYSA-N
XLogP1.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopropylmethyl)piperidine-3-carboxylic acid;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

(3S)-1-(cyclopentylmethyl)piperidine-3-carboxylic acid
CID 51441057
1-[(4-tert-butylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 104576017
1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid
CID 61442764
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidine-3-carboxylic acid
CID 79612897
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
(3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylic acid
CID 28869402
1-(methoxymethyl)piperidine-3-carboxylic acid
CID 67043579
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride (CID 53393263) is 1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCN(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is LUTGIGJUVLYXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c12-10(13)9-2-1-5-11(7-9)6-8-3-4-8;/h8-9H,1-7H2,(H,12,13);1H.
What are the key properties of 1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride?
1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 53393263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).