(1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine

C20H30FN5 — CID 100621394

IUPAC(1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine
SMILESCC1CCN(CCC[C@@H](NCCn2ccnn2)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN5/c1-17-8-13-25(14-9-17)12-2-3-20(18-4-6-19(21)7-5-18)22-10-15-26-16-11-23-24-26/h4-7,11,16-17,20,22H,2-3,8-10,12-15H2,1H3/t20-/m1/s1
InChIKeyULCNYDKRTMKELB-HXUWFJFHSA-N
MW359.49 g/mol
LogP3.26
Rot. Bonds9

About (1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine

(1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine (PubChem CID 100621394) has the molecular formula C20H30FN5 and a molecular weight of 359.49 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine
PubChem CID100621394
Molecular FormulaC20H30FN5
Molecular Weight359.49 g/mol
Exact Mass359.25
IUPAC Name(1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine
SMILESCC1CCN(CCC[C@@H](NCCn2ccnn2)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN5/c1-17-8-13-25(14-9-17)12-2-3-20(18-4-6-19(21)7-5-18)22-10-15-26-16-11-23-24-26/h4-7,11,16-17,20,22H,2-3,8-10,12-15H2,1H3/t20-/m1/s1
InChIKeyULCNYDKRTMKELB-HXUWFJFHSA-N
XLogP3.26
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683678
1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683885
1-[(3-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683976
1-[(3,4-difluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684100
1-[(3,4-difluorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
CID 76684202
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 76684208
N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 118565438
(2R)-4-(triazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 149501863
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine
CID 76683881
N-(2-(4-cyclohexylpiperazin-1-yl)ethyl)-1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-amine
CID 76684563
N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine
CID 46994406
4-(4-Benzyltriazol-1-yl)-1-[(4-fluorophenyl)methyl]piperidine
CID 155529629

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine (CID 100621394) is (1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine is CC1CCN(CCC[C@@H](NCCn2ccnn2)c2ccc(F)cc2)CC1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine?
The InChIKey is ULCNYDKRTMKELB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30FN5/c1-17-8-13-25(14-9-17)12-2-3-20(18-4-6-19(21)7-5-18)22-10-15-26-16-11-23-24-26/h4-7,11,16-17,20,22H,2-3,8-10,12-15H2,1H3/t20-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine?
(1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine has a molecular weight of 359.49 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 100621394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).