N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine

C17H22N4 — CID 103778023

IUPACN-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine
SMILESCc1cnc(CNC2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C17H22N4/c1-14-11-19-16(12-18-14)13-20-15-7-9-21(10-8-15)17-5-3-2-4-6-17/h2-6,11-12,15,20H,7-10,13H2,1H3
InChIKeyQXDVTJHQECVMBP-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.54
Rot. Bonds4

About N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine

N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine (PubChem CID 103778023) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine
PubChem CID103778023
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine
SMILESCc1cnc(CNC2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C17H22N4/c1-14-11-19-16(12-18-14)13-20-15-7-9-21(10-8-15)17-5-3-2-4-6-17/h2-6,11-12,15,20H,7-10,13H2,1H3
InChIKeyQXDVTJHQECVMBP-UHFFFAOYSA-N
XLogP2.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103778062
1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one
CID 31016726
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103096785
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103782068
1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 103792728
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625283
N,N-dimethyl-4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxamide
CID 83261720
ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
CID 62847535
4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
CID 62845689
4-ethyl-N,N-dimethyl-6-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]pyrimidin-2-amine
CID 72897517
1-phenyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 103775425

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine (CID 103778023) is N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine is Cc1cnc(CNC2CCN(c3ccccc3)CC2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine?
The InChIKey is QXDVTJHQECVMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-14-11-19-16(12-18-14)13-20-15-7-9-21(10-8-15)17-5-3-2-4-6-17/h2-6,11-12,15,20H,7-10,13H2,1H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine?
N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine is sourced from PubChem (CID 103778023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).