(2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride

C12H16ClNO2 — CID 171195463

IUPAC(2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride
SMILESCl.c1cc2c(c([C@H]3CCCCN3)c1)OCO2
InChIInChI=1S/C12H15NO2.ClH/c1-2-7-13-10(5-1)9-4-3-6-11-12(9)15-8-14-11;/h3-4,6,10,13H,1-2,5,7-8H2;1H/t10-;/m1./s1
InChIKeyYSRJJWIABDBZGC-HNCPQSOCSA-N
MW241.72 g/mol
LogP2.65
Rot. Bonds1

About (2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride

(2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride (PubChem CID 171195463) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride
PubChem CID171195463
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride
SMILESCl.c1cc2c(c([C@H]3CCCCN3)c1)OCO2
InChIInChI=1S/C12H15NO2.ClH/c1-2-7-13-10(5-1)9-4-3-6-11-12(9)15-8-14-11;/h3-4,6,10,13H,1-2,5,7-8H2;1H/t10-;/m1./s1
InChIKeyYSRJJWIABDBZGC-HNCPQSOCSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(1,3-benzodioxol-4-yl)piperidine;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

(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
(3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride
CID 171192633
(2S)-2-(1,3-benzodioxol-4-yl)piperazine
CID 171193726
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
CID 171197468
[6-(1,3-benzodioxol-4-yl)piperidin-3-yl]methanamine
CID 82389708
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
2-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)piperidine
CID 117480024
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine
CID 117381261
2-(2-cyclopentylphenyl)piperidine
CID 115005914
3-[(2S)-piperidin-2-yl]benzene-1,2-diamine
CID 55296112
2-chloro-3-piperidin-2-ylphenol
CID 130000735

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride?
The IUPAC name of (2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride (CID 171195463) is (2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride.
What is the SMILES notation for (2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride?
The canonical SMILES for (2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride is Cl.c1cc2c(c([C@H]3CCCCN3)c1)OCO2.
What is the InChIKey of (2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride?
The InChIKey is YSRJJWIABDBZGC-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-2-7-13-10(5-1)9-4-3-6-11-12(9)15-8-14-11;/h3-4,6,10,13H,1-2,5,7-8H2;1H/t10-;/m1./s1.
What are the key properties of (2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride?
(2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride is sourced from PubChem (CID 171195463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).