N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine

C16H23ClFN3 — CID 173310359

IUPACN-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine
SMILESFc1ccc(NC2CCNC(C3CCNCC3)C2)cc1Cl
InChIInChI=1S/C16H23ClFN3/c17-14-9-12(1-2-15(14)18)21-13-5-8-20-16(10-13)11-3-6-19-7-4-11/h1-2,9,11,13,16,19-21H,3-8,10H2
InChIKeyYGXUQZIYBONNFZ-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.01
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine

N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine (PubChem CID 173310359) has the molecular formula C16H23ClFN3 and a molecular weight of 311.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine
PubChem CID173310359
Molecular FormulaC16H23ClFN3
Molecular Weight311.83 g/mol
Exact Mass311.16
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine
SMILESFc1ccc(NC2CCNC(C3CCNCC3)C2)cc1Cl
InChIInChI=1S/C16H23ClFN3/c17-14-9-12(1-2-15(14)18)21-13-5-8-20-16(10-13)11-3-6-19-7-4-11/h1-2,9,11,13,16,19-21H,3-8,10H2
InChIKeyYGXUQZIYBONNFZ-UHFFFAOYSA-N
XLogP3.01
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 52934004
N-(3-chloro-4-fluorophenyl)-1-methyl-4-piperidinamine
CID 2846380
N-(2-Chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 23324799
1-[3-(4-Benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine
CID 127033890
(3S,4R)-3-butyl-1-(3,4-dichlorophenyl)piperidin-4-amine
CID 11631434
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-4-(2-piperidin-3-ylethyl)aniline
CID 68325662
3-chloro-N-[2-(2,2,6,6-tetramethyl-4-phenylpiperidin-4-yl)ethyl]aniline
CID 53388813
1-benzyl-N-(4-chlorophenyl)piperidin-4-amine
CID 867299
(2S,3S)-2-benzyl-N-(3-chlorophenyl)piperidin-3-amine;hydrochloride
CID 127021371
(2S,3S)-2-[(3-chlorophenyl)methyl]-N-phenylpiperidin-3-amine;dihydrochloride
CID 127022016
N-(3-Chlorophenyl)-4-piperidinamine
CID 4778196
4-chloro-N-(piperidin-3-ylmethyl)aniline
CID 66716283

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine (CID 173310359) is N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine is Fc1ccc(NC2CCNC(C3CCNCC3)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine?
The InChIKey is YGXUQZIYBONNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN3/c17-14-9-12(1-2-15(14)18)21-13-5-8-20-16(10-13)11-3-6-19-7-4-11/h1-2,9,11,13,16,19-21H,3-8,10H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine?
N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine has a molecular weight of 311.83 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine is sourced from PubChem (CID 173310359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).