1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

C19H28ClN5 — CID 70715875

IUPAC1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCCn1c(CN(C)C)nnc1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN5/c1-4-25-18(14-23(2)3)21-22-19(25)16-9-11-24(12-10-16)13-15-5-7-17(20)8-6-15/h5-8,16H,4,9-14H2,1-3H3
InChIKeyUPFOPHBWQBVDAY-UHFFFAOYSA-N
MW361.92 g/mol
LogP3.39
Rot. Bonds6

About 1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 70715875) has the molecular formula C19H28ClN5 and a molecular weight of 361.92 g/mol. Its IUPAC name is 1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
PubChem CID70715875
Molecular FormulaC19H28ClN5
Molecular Weight361.92 g/mol
Exact Mass361.20
IUPAC Name1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCCn1c(CN(C)C)nnc1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN5/c1-4-25-18(14-23(2)3)21-22-19(25)16-9-11-24(12-10-16)13-15-5-7-17(20)8-6-15/h5-8,16H,4,9-14H2,1-3H3
InChIKeyUPFOPHBWQBVDAY-UHFFFAOYSA-N
XLogP3.39
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (CID 70715875) is 1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is CCn1c(CN(C)C)nnc1C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is UPFOPHBWQBVDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN5/c1-4-25-18(14-23(2)3)21-22-19(25)16-9-11-24(12-10-16)13-15-5-7-17(20)8-6-15/h5-8,16H,4,9-14H2,1-3H3.
What are the key properties of 1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 361.92 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 70715875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).