N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride

C15H22ClN3 — CID 6602858

IUPACN-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCl.c1ccc(N2CCCCC2)c(NC2=NCCC2)c1
InChIInChI=1S/C15H21N3.ClH/c1-4-11-18(12-5-1)14-8-3-2-7-13(14)17-15-9-6-10-16-15;/h2-3,7-8H,1,4-6,9-12H2,(H,16,17);1H
InChIKeyZMSSFMQVMPLLSG-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.70
Rot. Bonds2

About N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride

N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (PubChem CID 6602858) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
PubChem CID6602858
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC NameN-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCl.c1ccc(N2CCCCC2)c(NC2=NCCC2)c1
InChIInChI=1S/C15H21N3.ClH/c1-4-11-18(12-5-1)14-8-3-2-7-13(14)17-15-9-6-10-16-15;/h2-3,7-8H,1,4-6,9-12H2,(H,16,17);1H
InChIKeyZMSSFMQVMPLLSG-UHFFFAOYSA-N
XLogP3.70
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride 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-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The IUPAC name of N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (CID 6602858) is N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.
What is the SMILES notation for N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The canonical SMILES for N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is Cl.c1ccc(N2CCCCC2)c(NC2=NCCC2)c1.
What is the InChIKey of N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The InChIKey is ZMSSFMQVMPLLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3.ClH/c1-4-11-18(12-5-1)14-8-3-2-7-13(14)17-15-9-6-10-16-15;/h2-3,7-8H,1,4-6,9-12H2,(H,16,17);1H.
What are the key properties of N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is sourced from PubChem (CID 6602858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).