N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine

C18H23N3 — CID 43343763

IUPACN-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine
SMILESCCc1ccc(NC2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C18H23N3/c1-2-15-3-5-16(6-4-15)20-17-9-13-21(14-10-17)18-7-11-19-12-8-18/h3-8,11-12,17,20H,2,9-10,13-14H2,1H3
InChIKeyWFPWDEULFRSREV-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.72
Rot. Bonds4

About N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine

N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine (PubChem CID 43343763) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine
PubChem CID43343763
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine
SMILESCCc1ccc(NC2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C18H23N3/c1-2-15-3-5-16(6-4-15)20-17-9-13-21(14-10-17)18-7-11-19-12-8-18/h3-8,11-12,17,20H,2,9-10,13-14H2,1H3
InChIKeyWFPWDEULFRSREV-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Pyridinium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1)
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4-(4-(Dimethylamino)styryl)-1-methylpyridinium iodide
CID 5333955
4-(Pyridin-2-yl)aniline
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(+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine
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3-((2R)-Piperidin-2-Yl)Pyridine
CID 641266
Anabasamine
CID 161313
(2-Phenylethyl)(3-pyridinylmethyl)amine hydrochloride
CID 201618
3-Methyl-4-pyridinamine
CID 74811

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine?
The IUPAC name of N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine (CID 43343763) is N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine.
What is the SMILES notation for N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine?
The canonical SMILES for N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine is CCc1ccc(NC2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine?
The InChIKey is WFPWDEULFRSREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-15-3-5-16(6-4-15)20-17-9-13-21(14-10-17)18-7-11-19-12-8-18/h3-8,11-12,17,20H,2,9-10,13-14H2,1H3.
What are the key properties of N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine?
N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine is sourced from PubChem (CID 43343763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).