[1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride

C13H22ClN3 — CID 120836903

IUPAC[1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCc1ccncc1CN1CCCCC1CN.Cl
InChIInChI=1S/C13H21N3.ClH/c1-11-5-6-15-9-12(11)10-16-7-3-2-4-13(16)8-14;/h5-6,9,13H,2-4,7-8,10,14H2,1H3;1H
InChIKeyLMLJGWHWMWRNQX-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.13
Rot. Bonds3

About [1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride

[1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 120836903) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is [1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID120836903
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name[1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCc1ccncc1CN1CCCCC1CN.Cl
InChIInChI=1S/C13H21N3.ClH/c1-11-5-6-15-9-12(11)10-16-7-3-2-4-13(16)8-14;/h5-6,9,13H,2-4,7-8,10,14H2,1H3;1H
InChIKeyLMLJGWHWMWRNQX-UHFFFAOYSA-N
XLogP2.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;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

[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916076
2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106085863
[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 83089134
[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311614
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 66117539
[1-[(2,4,6-trimethylphenyl)methyl]azepan-2-yl]methanamine
CID 116640521
1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843370
[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844442
[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methanamine
CID 63262844
[1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine
CID 71643423
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride (CID 120836903) is [1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride is Cc1ccncc1CN1CCCCC1CN.Cl.
What is the InChIKey of [1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is LMLJGWHWMWRNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.ClH/c1-11-5-6-15-9-12(11)10-16-7-3-2-4-13(16)8-14;/h5-6,9,13H,2-4,7-8,10,14H2,1H3;1H.
What are the key properties of [1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
[1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120836903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).