N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine

C21H24N4 — CID 45244125

IUPACN-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
SMILESc1ccc(NC2CCCN(Cc3cccn3-c3ccccn3)C2)cc1
InChIInChI=1S/C21H24N4/c1-2-8-18(9-3-1)23-19-10-6-14-24(16-19)17-20-11-7-15-25(20)21-12-4-5-13-22-21/h1-5,7-9,11-13,15,19,23H,6,10,14,16-17H2
InChIKeyLBIXRKJANFFQLP-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.95
Rot. Bonds5

About N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine

N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine (PubChem CID 45244125) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
PubChem CID45244125
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC NameN-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
SMILESc1ccc(NC2CCCN(Cc3cccn3-c3ccccn3)C2)cc1
InChIInChI=1S/C21H24N4/c1-2-8-18(9-3-1)23-19-10-6-14-24(16-19)17-20-11-7-15-25(20)21-12-4-5-13-22-21/h1-5,7-9,11-13,15,19,23H,6,10,14,16-17H2
InChIKeyLBIXRKJANFFQLP-UHFFFAOYSA-N
XLogP3.95
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45227733
N-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45223319
N-(4-propan-2-ylphenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45242588
1-phenyl-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 29025981
(4-chlorophenyl)-[(3R)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone
CID 42520305
2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine
CID 29208732
1-(2-methylphenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45199090
1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45195712
[1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 45243962
(3R)-N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine
CID 42311344
(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine
CID 124610098
N-(3,4-dimethylphenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine
CID 45250511

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine?
The IUPAC name of N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine (CID 45244125) is N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine is c1ccc(NC2CCCN(Cc3cccn3-c3ccccn3)C2)cc1.
What is the InChIKey of N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine?
The InChIKey is LBIXRKJANFFQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-8-18(9-3-1)23-19-10-6-14-24(16-19)17-20-11-7-15-25(20)21-12-4-5-13-22-21/h1-5,7-9,11-13,15,19,23H,6,10,14,16-17H2.
What are the key properties of N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine?
N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine has a molecular weight of 332.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 45244125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).