[(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine

C15H21N5 — CID 95719321

IUPAC[(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine
SMILESNC[C@@H]1CCCCN1Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H21N5/c16-10-15-8-4-5-9-19(15)11-13-12-20(18-17-13)14-6-2-1-3-7-14/h1-3,6-7,12,15H,4-5,8-11,16H2/t15-/m0/s1
InChIKeyALJISQYRRMXMDG-HNNXBMFYSA-N
MW271.37 g/mol
LogP1.58
Rot. Bonds4

About [(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine

[(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 95719321) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is [(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine
PubChem CID95719321
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name[(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine
SMILESNC[C@@H]1CCCCN1Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H21N5/c16-10-15-8-4-5-9-19(15)11-13-12-20(18-17-13)14-6-2-1-3-7-14/h1-3,6-7,12,15H,4-5,8-11,16H2/t15-/m0/s1
InChIKeyALJISQYRRMXMDG-HNNXBMFYSA-N
XLogP1.58
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581394
1-phenyl-4-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]triazole
CID 95609459
2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 56918216
4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltriazole
CID 95609652
2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 56897456
[1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine
CID 71644496
[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916281
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
2-(chloromethyl)-1-[(1-methyltriazol-4-yl)methyl]piperidine
CID 107053958

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine (CID 95719321) is [(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine is NC[C@@H]1CCCCN1Cc1cn(-c2ccccc2)nn1.
What is the InChIKey of [(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is ALJISQYRRMXMDG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N5/c16-10-15-8-4-5-9-19(15)11-13-12-20(18-17-13)14-6-2-1-3-7-14/h1-3,6-7,12,15H,4-5,8-11,16H2/t15-/m0/s1.
What are the key properties of [(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine?
[(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 271.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 95719321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).