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

C19H29N5 — CID 70704966

IUPAC1-[5-(1-benzylpiperidin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCCn1c(CN(C)C)nnc1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H29N5/c1-4-24-18(15-22(2)3)20-21-19(24)17-10-12-23(13-11-17)14-16-8-6-5-7-9-16/h5-9,17H,4,10-15H2,1-3H3
InChIKeyMRPSDZXSHADAFK-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.74
Rot. Bonds6

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

1-[5-(1-benzylpiperidin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 70704966) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 1-[5-(1-benzylpiperidin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(1-benzylpiperidin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
PubChem CID70704966
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name1-[5-(1-benzylpiperidin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCCn1c(CN(C)C)nnc1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H29N5/c1-4-24-18(15-22(2)3)20-21-19(24)17-10-12-23(13-11-17)14-16-8-6-5-7-9-16/h5-9,17H,4,10-15H2,1-3H3
InChIKeyMRPSDZXSHADAFK-UHFFFAOYSA-N
XLogP2.74
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-(1-benzylpiperidin-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-benzylpiperidin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(1-benzylpiperidin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (CID 70704966) is 1-[5-(1-benzylpiperidin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(1-benzylpiperidin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(1-benzylpiperidin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is CCn1c(CN(C)C)nnc1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[5-(1-benzylpiperidin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is MRPSDZXSHADAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-4-24-18(15-22(2)3)20-21-19(24)17-10-12-23(13-11-17)14-16-8-6-5-7-9-16/h5-9,17H,4,10-15H2,1-3H3.
What are the key properties of 1-[5-(1-benzylpiperidin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
1-[5-(1-benzylpiperidin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 327.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzylpiperidin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 70704966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).