(R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride

C14H21ClN2O3 — CID 171314751

IUPAC(R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCOc1cc([C@H](N)C2CCNCC2)cc2c1OCO2.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-17-11-6-10(7-12-14(11)19-8-18-12)13(15)9-2-4-16-5-3-9;/h6-7,9,13,16H,2-5,8,15H2,1H3;1H/t13-;/m1./s1
InChIKeyCPINGLWKGHWWCF-BTQNPOSSSA-N
MW300.79 g/mol
LogP1.85
Rot. Bonds3

About (R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride

(R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 171314751) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is (R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride
PubChem CID171314751
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name(R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCOc1cc([C@H](N)C2CCNCC2)cc2c1OCO2.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-17-11-6-10(7-12-14(11)19-8-18-12)13(15)9-2-4-16-5-3-9;/h6-7,9,13,16H,2-5,8,15H2,1H3;1H/t13-;/m1./s1
InChIKeyCPINGLWKGHWWCF-BTQNPOSSSA-N
XLogP1.85
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;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

(1R,2S)-2-amino-1-cyclopropyl-2-(7-methoxy-1,3-benzodioxol-5-yl)ethanol
CID 171271899
(1S)-1-(7-methoxy-1,3-benzodioxol-5-yl)propane-1,3-diamine;hydrochloride
CID 171236126
(1S)-2-fluoro-1-(7-methoxy-1,3-benzodioxol-5-yl)ethanamine
CID 131312391
(1S)-1-(7-methoxy-1,3-benzodioxol-5-yl)but-3-en-1-amine
CID 171236136
1-[(1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)pentyl]piperazine;dihydrochloride
CID 171308482
(1S,2R)-1-amino-1-(7-methoxy-1,3-benzodioxol-5-yl)pentan-2-ol;hydrochloride
CID 171271916
(1R,2S)-1-(7-methoxy-1,3-benzodioxol-5-yl)propane-1,2-diol
CID 71408272
(3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308332
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559
(1R,2S)-1-amino-1-(7-methoxy-1,3-benzodioxol-5-yl)-5-methylhexan-2-ol;hydrochloride
CID 171266258
(6-methyl-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine
CID 116935914
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681

Frequently Asked Questions

What is the IUPAC name of (R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride (CID 171314751) is (R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride is COc1cc([C@H](N)C2CCNCC2)cc2c1OCO2.Cl.
What is the InChIKey of (R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is CPINGLWKGHWWCF-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-17-11-6-10(7-12-14(11)19-8-18-12)13(15)9-2-4-16-5-3-9;/h6-7,9,13,16H,2-5,8,15H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride?
(R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 171314751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).