(3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine

C15H20FN5 — CID 95582573

IUPAC(3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine
SMILESCN1CCC[C@@H](NCc2ccc(-n3cncn3)c(F)c2)C1
InChIInChI=1S/C15H20FN5/c1-20-6-2-3-13(9-20)18-8-12-4-5-15(14(16)7-12)21-11-17-10-19-21/h4-5,7,10-11,13,18H,2-3,6,8-9H2,1H3/t13-/m1/s1
InChIKeyGPCBPGOGSRRANV-CYBMUJFWSA-N
MW289.36 g/mol
LogP1.59
Rot. Bonds4

About (3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine

(3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine (PubChem CID 95582573) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is (3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine
PubChem CID95582573
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name(3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine
SMILESCN1CCC[C@@H](NCc2ccc(-n3cncn3)c(F)c2)C1
InChIInChI=1S/C15H20FN5/c1-20-6-2-3-13(9-20)18-8-12-4-5-15(14(16)7-12)21-11-17-10-19-21/h4-5,7,10-11,13,18H,2-3,6,8-9H2,1H3/t13-/m1/s1
InChIKeyGPCBPGOGSRRANV-CYBMUJFWSA-N
XLogP1.59
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 61211231
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
1-methyl-N-(naphthalen-2-ylmethyl)piperidin-3-amine
CID 61211389
N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-oxabicyclo[2.2.1]heptan-4-amine
CID 166274985
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 61212894
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
N-[(2-fluorophenyl)methyl]-1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methanamine
CID 47019358
N-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43314018
1-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
CID 136571443
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]propan-2-ol
CID 117315539
N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 63667562

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine?
The IUPAC name of (3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine (CID 95582573) is (3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine is CN1CCC[C@@H](NCc2ccc(-n3cncn3)c(F)c2)C1.
What is the InChIKey of (3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine?
The InChIKey is GPCBPGOGSRRANV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20FN5/c1-20-6-2-3-13(9-20)18-8-12-4-5-15(14(16)7-12)21-11-17-10-19-21/h4-5,7,10-11,13,18H,2-3,6,8-9H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine?
(3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine has a molecular weight of 289.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 95582573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).