N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine

C17H24FN5 — CID 131918704

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine
SMILESCCn1ncnc1CNC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C17H24FN5/c1-2-23-17(20-13-21-23)10-19-15-7-5-9-22(12-15)11-14-6-3-4-8-16(14)18/h3-4,6,8,13,15,19H,2,5,7,9-12H2,1H3
InChIKeyXVQCJZKEYJICBH-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.19
Rot. Bonds6

About N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine (PubChem CID 131918704) has the molecular formula C17H24FN5 and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine
PubChem CID131918704
Molecular FormulaC17H24FN5
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine
SMILESCCn1ncnc1CNC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C17H24FN5/c1-2-23-17(20-13-21-23)10-19-15-7-5-9-22(12-15)11-14-6-3-4-8-16(14)18/h3-4,6,8,13,15,19H,2,5,7,9-12H2,1H3
InChIKeyXVQCJZKEYJICBH-UHFFFAOYSA-N
XLogP2.19
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 51656625
2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol
CID 45167838
(3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine
CID 28954232
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
(3S)-1-[(2-fluorophenyl)methyl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-amine
CID 28979968
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
CID 112606644
1-[5-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]-1-methylpyrrol-3-yl]ethanone
CID 131943324
5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 122557818
(4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylazepane
CID 99838451
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine
CID 95870220
(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylphenyl)piperidine
CID 99939381
1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 61171918

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine (CID 131918704) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine is CCn1ncnc1CNC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine?
The InChIKey is XVQCJZKEYJICBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5/c1-2-23-17(20-13-21-23)10-19-15-7-5-9-22(12-15)11-14-6-3-4-8-16(14)18/h3-4,6,8,13,15,19H,2,5,7,9-12H2,1H3.
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine has a molecular weight of 317.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 131918704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).