[2-(piperidin-4-ylmethyl)phenyl]methanamine

C13H20N2 — CID 105456757

IUPAC[2-(piperidin-4-ylmethyl)phenyl]methanamine
SMILESNCc1ccccc1CC1CCNCC1
InChIInChI=1S/C13H20N2/c14-10-13-4-2-1-3-12(13)9-11-5-7-15-8-6-11/h1-4,11,15H,5-10,14H2
InChIKeyWIWGDBVHLSHVJE-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.69
Rot. Bonds3

About [2-(piperidin-4-ylmethyl)phenyl]methanamine

[2-(piperidin-4-ylmethyl)phenyl]methanamine (PubChem CID 105456757) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is [2-(piperidin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(piperidin-4-ylmethyl)phenyl]methanamine
PubChem CID105456757
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name[2-(piperidin-4-ylmethyl)phenyl]methanamine
SMILESNCc1ccccc1CC1CCNCC1
InChIInChI=1S/C13H20N2/c14-10-13-4-2-1-3-12(13)9-11-5-7-15-8-6-11/h1-4,11,15H,5-10,14H2
InChIKeyWIWGDBVHLSHVJE-UHFFFAOYSA-N
XLogP1.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(cyclohexylmethyl)phenyl]methanamine
CID 105455805
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981
1-[2-(piperidin-4-ylmethyl)phenyl]cyclopropan-1-ol
CID 117117835
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
4-[[2-(difluoromethoxy)phenyl]methyl]piperidine
CID 117355180
1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine
CID 117436744
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
4-phenyl-3-(piperidin-4-ylmethyl)pyridine
CID 115009267
2-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 139966518
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330
4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine
CID 18669380

Frequently Asked Questions

What is the IUPAC name of [2-(piperidin-4-ylmethyl)phenyl]methanamine?
The IUPAC name of [2-(piperidin-4-ylmethyl)phenyl]methanamine (CID 105456757) is [2-(piperidin-4-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-(piperidin-4-ylmethyl)phenyl]methanamine?
The canonical SMILES for [2-(piperidin-4-ylmethyl)phenyl]methanamine is NCc1ccccc1CC1CCNCC1.
What is the InChIKey of [2-(piperidin-4-ylmethyl)phenyl]methanamine?
The InChIKey is WIWGDBVHLSHVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c14-10-13-4-2-1-3-12(13)9-11-5-7-15-8-6-11/h1-4,11,15H,5-10,14H2.
What are the key properties of [2-(piperidin-4-ylmethyl)phenyl]methanamine?
[2-(piperidin-4-ylmethyl)phenyl]methanamine has a molecular weight of 204.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 105456757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).