N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine

C18H23N3 — CID 43166976

IUPACN-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine
SMILESCCc1ccccc1NC1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H23N3/c1-2-15-5-3-4-6-18(15)20-16-9-13-21(14-10-16)17-7-11-19-12-8-17/h3-8,11-12,16,20H,2,9-10,13-14H2,1H3
InChIKeyDTKDQRLIJIIRMY-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.72
Rot. Bonds4

About N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine

N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine (PubChem CID 43166976) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine
PubChem CID43166976
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine
SMILESCCc1ccccc1NC1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H23N3/c1-2-15-5-3-4-6-18(15)20-16-9-13-21(14-10-16)17-7-11-19-12-8-17/h3-8,11-12,16,20H,2,9-10,13-14H2,1H3
InChIKeyDTKDQRLIJIIRMY-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

N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43683305
N-(2-fluorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166973
N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43343763
N-(2-ethylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103930824
N-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166964
N-(1-ethylpyrazol-4-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 43543272
N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 79101320
N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384738
1-methyl-5-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyridin-2-one
CID 60932217
N-(cyclopropylmethyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166652
N-(4-methylpentan-2-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 43371759
N-(2-ethylphenyl)azepan-3-amine
CID 102076155

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine?
The IUPAC name of N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine (CID 43166976) is N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine.
What is the SMILES notation for N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine?
The canonical SMILES for N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine is CCc1ccccc1NC1CCN(c2ccncc2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine?
The InChIKey is DTKDQRLIJIIRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-15-5-3-4-6-18(15)20-16-9-13-21(14-10-16)17-7-11-19-12-8-17/h3-8,11-12,16,20H,2,9-10,13-14H2,1H3.
What are the key properties of N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine?
N-(2-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-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine is sourced from PubChem (CID 43166976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).