1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine

C16H23ClN4 — CID 142678380

IUPAC1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine
SMILESClc1ccccc1CC1=NNCN1CCN1CCCCC1
InChIInChI=1S/C16H23ClN4/c17-15-7-3-2-6-14(15)12-16-19-18-13-21(16)11-10-20-8-4-1-5-9-20/h2-3,6-7,18H,1,4-5,8-13H2
InChIKeyNCSJFLMOKIORLW-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.54
Rot. Bonds5

About 1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine

1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine (PubChem CID 142678380) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine
PubChem CID142678380
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine
SMILESClc1ccccc1CC1=NNCN1CCN1CCCCC1
InChIInChI=1S/C16H23ClN4/c17-15-7-3-2-6-14(15)12-16-19-18-13-21(16)11-10-20-8-4-1-5-9-20/h2-3,6-7,18H,1,4-5,8-13H2
InChIKeyNCSJFLMOKIORLW-UHFFFAOYSA-N
XLogP2.54
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazole
CID 142678470
1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline
CID 170156297
3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole
CID 142678386
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
3-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylphenyl)-1,5-dihydro-1,2,4-triazole
CID 142678444
1-[3-(2-chlorophenyl)propanoyl]-4-(2-piperidin-1-ylethyl)-1,4-diazepan-5-one
CID 28786188
3-[(2-chloro-5-methoxyphenyl)methyl]-4-phenyl-1,5-dihydro-1,2,4-triazole
CID 142678452
N-[(2-chlorophenyl)methyl]-2-piperazin-1-ylethanamine
CID 18778415
3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine
CID 172772412
3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 55091065
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propanenitrile
CID 54856451

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine (CID 142678380) is 1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine is Clc1ccccc1CC1=NNCN1CCN1CCCCC1.
What is the InChIKey of 1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine?
The InChIKey is NCSJFLMOKIORLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c17-15-7-3-2-6-14(15)12-16-19-18-13-21(16)11-10-20-8-4-1-5-9-20/h2-3,6-7,18H,1,4-5,8-13H2.
What are the key properties of 1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine?
1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine has a molecular weight of 306.84 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(2-chlorophenyl)methyl]-1,5-dihydro-1,2,4-triazol-4-yl]ethyl]piperidine is sourced from PubChem (CID 142678380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).