N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine

C16H22N4 — CID 79101320

IUPACN-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine
SMILESCc1ccc(C)n1NC1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H22N4/c1-13-3-4-14(2)20(13)18-15-7-11-19(12-8-15)16-5-9-17-10-6-16/h3-6,9-10,15,18H,7-8,11-12H2,1-2H3
InChIKeyHOCPKCICICZGSC-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.71
Rot. Bonds3

About N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine

N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine (PubChem CID 79101320) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine
PubChem CID79101320
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine
SMILESCc1ccc(C)n1NC1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H22N4/c1-13-3-4-14(2)20(13)18-15-7-11-19(12-8-15)16-5-9-17-10-6-16/h3-6,9-10,15,18H,7-8,11-12H2,1-2H3
InChIKeyHOCPKCICICZGSC-UHFFFAOYSA-N
XLogP2.71
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-4-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43343794
N-(cyclopropylmethyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166652
N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43683305
N-(4-methylpentan-2-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 43371759
1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)piperidin-4-amine
CID 43343781
1-pyridin-4-yl-N-(1-pyridin-3-ylethyl)piperidin-4-amine
CID 43343785
N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166976
N-[(2-methylcyclopropyl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 113463722
N-(2-fluorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166973
1-pyridin-4-ylpiperidine-4-thiol
CID 153166689
1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62841839
1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one
CID 60932217

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine (CID 79101320) is N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine is Cc1ccc(C)n1NC1CCN(c2ccncc2)CC1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine?
The InChIKey is HOCPKCICICZGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-3-4-14(2)20(13)18-15-7-11-19(12-8-15)16-5-9-17-10-6-16/h3-6,9-10,15,18H,7-8,11-12H2,1-2H3.
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine?
N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine is sourced from PubChem (CID 79101320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).