1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine

C15H19BrN4 — CID 122139070

IUPAC1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESBrc1ccc(CN2CCC(Cn3cncn3)CC2)cc1
InChIInChI=1S/C15H19BrN4/c16-15-3-1-13(2-4-15)9-19-7-5-14(6-8-19)10-20-12-17-11-18-20/h1-4,11-12,14H,5-10H2
InChIKeyKPEJHGWAFHDXJE-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.95
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine

1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 122139070) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID122139070
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESBrc1ccc(CN2CCC(Cn3cncn3)CC2)cc1
InChIInChI=1S/C15H19BrN4/c16-15-3-1-13(2-4-15)9-19-7-5-14(6-8-19)10-20-12-17-11-18-20/h1-4,11-12,14H,5-10H2
InChIKeyKPEJHGWAFHDXJE-UHFFFAOYSA-N
XLogP2.95
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495314
1-[(3-chloro-1-benzofuran-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 126821432
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 120851131
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 136533416
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606346
1-[[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]cyclobutan-1-ol
CID 136533417
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
1-(2-fluorophenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 166226938
1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 120851129

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine (CID 122139070) is 1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine is Brc1ccc(CN2CCC(Cn3cncn3)CC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is KPEJHGWAFHDXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c16-15-3-1-13(2-4-15)9-19-7-5-14(6-8-19)10-20-12-17-11-18-20/h1-4,11-12,14H,5-10H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine?
1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 335.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 122139070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).