N-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine

C20H24ClFN2 — CID 166631121

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESFc1ccc(CN(CCc2ccccc2)C2CCNCC2)cc1Cl
InChIInChI=1S/C20H24ClFN2/c21-19-14-17(6-7-20(19)22)15-24(18-8-11-23-12-9-18)13-10-16-4-2-1-3-5-16/h1-7,14,18,23H,8-13,15H2
InChIKeyCJLKTDAGKPFJFX-UHFFFAOYSA-N
MW346.88 g/mol
LogP4.28
Rot. Bonds6

About N-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine

N-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 166631121) has the molecular formula C20H24ClFN2 and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
PubChem CID166631121
Molecular FormulaC20H24ClFN2
Molecular Weight346.88 g/mol
Exact Mass346.16
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESFc1ccc(CN(CCc2ccccc2)C2CCNCC2)cc1Cl
InChIInChI=1S/C20H24ClFN2/c21-19-14-17(6-7-20(19)22)15-24(18-8-11-23-12-9-18)13-10-16-4-2-1-3-5-16/h1-7,14,18,23H,8-13,15H2
InChIKeyCJLKTDAGKPFJFX-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Norchlorcyclizine
CID 9340
Clobenzorex
CID 735998
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
1-(3-Chlorobenzyl)piperazine
CID 764727
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510
Norchlorcyclizine, (-)-
CID 668697
1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
1-(2-(3-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414720
N-(2-chlorobenzyl)-1-phenylpropan-2-amine hydrochloride
CID 160796
1-Benzyl-N-(2-cyclohexylidene-2-fluoroethyl)-4-piperidinamine
CID 23646098
1-Benzyl-4-(3-chlorobenzyl)piperazine
CID 765219
N-(3-fluorobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 782100

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine (CID 166631121) is N-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine is Fc1ccc(CN(CCc2ccccc2)C2CCNCC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is CJLKTDAGKPFJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2/c21-19-14-17(6-7-20(19)22)15-24(18-8-11-23-12-9-18)13-10-16-4-2-1-3-5-16/h1-7,14,18,23H,8-13,15H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine has a molecular weight of 346.88 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 166631121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).