N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine

C13H21N3 — CID 106634516

IUPACN-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
SMILESCc1ccncc1CNCC1CCCCN1
InChIInChI=1S/C13H21N3/c1-11-5-7-14-8-12(11)9-15-10-13-4-2-3-6-16-13/h5,7-8,13,15-16H,2-4,6,9-10H2,1H3
InChIKeyMOAHZLXZJVFYPR-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.62
Rot. Bonds4

About N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine

N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine (PubChem CID 106634516) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
PubChem CID106634516
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
SMILESCc1ccncc1CNCC1CCCCN1
InChIInChI=1S/C13H21N3/c1-11-5-7-14-8-12(11)9-15-10-13-4-2-3-6-16-13/h5,7-8,13,15-16H,2-4,6,9-10H2,1H3
InChIKeyMOAHZLXZJVFYPR-UHFFFAOYSA-N
XLogP1.62
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-piperidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97178382
N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621945
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106633706
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208280
2-methyl-N-(piperidin-2-ylmethyl)-2-pyridin-4-ylpropan-1-amine
CID 115209463
N-[(4-methyl-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603786
1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 64570983
N-(1,2-oxazol-5-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106415135
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209373
3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine
CID 115009220

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine (CID 106634516) is N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine is Cc1ccncc1CNCC1CCCCN1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine?
The InChIKey is MOAHZLXZJVFYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-5-7-14-8-12(11)9-15-10-13-4-2-3-6-16-13/h5,7-8,13,15-16H,2-4,6,9-10H2,1H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine?
N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 106634516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).