N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine

C16H23ClFN3 — CID 173310436

IUPACN-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine
SMILESFc1ccc(NC2CCNC(N3CCCCC3)C2)cc1Cl
InChIInChI=1S/C16H23ClFN3/c17-14-10-12(4-5-15(14)18)20-13-6-7-19-16(11-13)21-8-2-1-3-9-21/h4-5,10,13,16,19-20H,1-3,6-9,11H2
InChIKeyJPSKVIHTKWYHOE-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.45
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine

N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine (PubChem CID 173310436) 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-1-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine
PubChem CID173310436
Molecular FormulaC16H23ClFN3
Molecular Weight311.83 g/mol
Exact Mass311.16
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine
SMILESFc1ccc(NC2CCNC(N3CCCCC3)C2)cc1Cl
InChIInChI=1S/C16H23ClFN3/c17-14-10-12(4-5-15(14)18)20-13-6-7-19-16(11-13)21-8-2-1-3-9-21/h4-5,10,13,16,19-20H,1-3,6-9,11H2
InChIKeyJPSKVIHTKWYHOE-UHFFFAOYSA-N
XLogP3.45
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine
CID 173310347
4-(3-chloro-4-fluoroanilino)piperidin-2-ol
CID 173310295
N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine
CID 173310359
3-chloro-N-cyclopentyl-4-fluoroaniline
CID 28938400
N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine
CID 114817207
3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline
CID 63421987
N-(3-chloro-4-fluorophenyl)-1,1-dioxothian-4-amine
CID 43511704
6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole
CID 173291165
5-chloro-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348720
4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline
CID 64594863
4-chloro-N-cyclopentyl-3-fluoroaniline
CID 43721398
N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108530544

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine (CID 173310436) is N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine is Fc1ccc(NC2CCNC(N3CCCCC3)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine?
The InChIKey is JPSKVIHTKWYHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN3/c17-14-10-12(4-5-15(14)18)20-13-6-7-19-16(11-13)21-8-2-1-3-9-21/h4-5,10,13,16,19-20H,1-3,6-9,11H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine?
N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine has a molecular weight of 311.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine is sourced from PubChem (CID 173310436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).