N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline

C15H22N4 — CID 22493274

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline
SMILESc1ccc(N2CCCCC2)c(NCC2=NCCN2)c1
InChIInChI=1S/C15H22N4/c1-4-10-19(11-5-1)14-7-3-2-6-13(14)18-12-15-16-8-9-17-15/h2-3,6-7,18H,1,4-5,8-12H2,(H,16,17)
InChIKeyGHCVLCQQNTYWFS-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.09
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline (PubChem CID 22493274) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline
PubChem CID22493274
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline
SMILESc1ccc(N2CCCCC2)c(NCC2=NCCN2)c1
InChIInChI=1S/C15H22N4/c1-4-10-19(11-5-1)14-7-3-2-6-13(14)18-12-15-16-8-9-17-15/h2-3,6-7,18H,1,4-5,8-12H2,(H,16,17)
InChIKeyGHCVLCQQNTYWFS-UHFFFAOYSA-N
XLogP2.09
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline 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 N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline (CID 22493274) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline is c1ccc(N2CCCCC2)c(NCC2=NCCN2)c1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline?
The InChIKey is GHCVLCQQNTYWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-10-19(11-5-1)14-7-3-2-6-13(14)18-12-15-16-8-9-17-15/h2-3,6-7,18H,1,4-5,8-12H2,(H,16,17).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline has a molecular weight of 258.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-piperidin-1-ylaniline is sourced from PubChem (CID 22493274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).