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

C16H17Cl2N3 — CID 43166964

IUPACN-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine
SMILESClc1ccc(Cl)c(NC2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C16H17Cl2N3/c17-12-1-2-15(18)16(11-12)20-13-5-9-21(10-6-13)14-3-7-19-8-4-14/h1-4,7-8,11,13,20H,5-6,9-10H2
InChIKeyDNROIYCWGIEJSJ-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.47
Rot. Bonds3

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

N-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine (PubChem CID 43166964) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine
PubChem CID43166964
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC NameN-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine
SMILESClc1ccc(Cl)c(NC2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C16H17Cl2N3/c17-12-1-2-15(18)16(11-12)20-13-5-9-21(10-6-13)14-3-7-19-8-4-14/h1-4,7-8,11,13,20H,5-6,9-10H2
InChIKeyDNROIYCWGIEJSJ-UHFFFAOYSA-N
XLogP4.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-1-phenylpiperidin-4-amine
CID 106820276
N-(2-fluorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166973
N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43683305
N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166976
N-(2,5-dichlorophenyl)oxepan-4-amine
CID 65076765
N-(2,5-dichlorophenyl)-1-propylazepan-4-amine
CID 65072419
2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754843
3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine
CID 20701175
4-chloro-N-(1-methylpiperidin-4-yl)pyridin-3-amine
CID 83166896
N-(4-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43343763
N-(cyclopropylmethyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166652
2,5-dichloro-N-(3-methoxycyclobutyl)aniline
CID 106821242

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine?
The IUPAC name of N-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine (CID 43166964) is N-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine is Clc1ccc(Cl)c(NC2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine?
The InChIKey is DNROIYCWGIEJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c17-12-1-2-15(18)16(11-12)20-13-5-9-21(10-6-13)14-3-7-19-8-4-14/h1-4,7-8,11,13,20H,5-6,9-10H2.
What are the key properties of N-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine?
N-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine has a molecular weight of 322.24 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1-pyridin-4-ylpiperidin-4-amine is sourced from PubChem (CID 43166964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).