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

C16H24ClFN4 — CID 173310347

IUPAC2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine
SMILESNC1CCN(C2CC(Nc3ccc(F)c(Cl)c3)CCN2)CC1
InChIInChI=1S/C16H24ClFN4/c17-14-9-12(1-2-15(14)18)21-13-3-6-20-16(10-13)22-7-4-11(19)5-8-22/h1-2,9,11,13,16,20-21H,3-8,10,19H2
InChIKeyHUDMOXNLPJLECM-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.39
Rot. Bonds3

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

2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine (PubChem CID 173310347) has the molecular formula C16H24ClFN4 and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine
PubChem CID173310347
Molecular FormulaC16H24ClFN4
Molecular Weight326.85 g/mol
Exact Mass326.17
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine
SMILESNC1CCN(C2CC(Nc3ccc(F)c(Cl)c3)CCN2)CC1
InChIInChI=1S/C16H24ClFN4/c17-14-9-12(1-2-15(14)18)21-13-3-6-20-16(10-13)22-7-4-11(19)5-8-22/h1-2,9,11,13,16,20-21H,3-8,10,19H2
InChIKeyHUDMOXNLPJLECM-UHFFFAOYSA-N
XLogP2.39
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine
CID 173310436
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)-1,1-dioxothian-4-amine
CID 43511704
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 95711738
4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724276
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine
CID 114817207
6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 67695128
5-chloro-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348720
1-N-(3-chloro-4-fluorophenyl)-1-piperazin-1-ylcyclohexane-1,3-diamine
CID 67627985

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine (CID 173310347) is 2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine is NC1CCN(C2CC(Nc3ccc(F)c(Cl)c3)CCN2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine?
The InChIKey is HUDMOXNLPJLECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN4/c17-14-9-12(1-2-15(14)18)21-13-3-6-20-16(10-13)22-7-4-11(19)5-8-22/h1-2,9,11,13,16,20-21H,3-8,10,19H2.
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine?
2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine has a molecular weight of 326.85 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 173310347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).