N-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine

C18H20ClFN2 — CID 3968538

IUPACN-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine
SMILESFc1cccc(CN2CCC(Nc3ccccc3Cl)CC2)c1
InChIInChI=1S/C18H20ClFN2/c19-17-6-1-2-7-18(17)21-16-8-10-22(11-9-16)13-14-4-3-5-15(20)12-14/h1-7,12,16,21H,8-11,13H2
InChIKeyYMYCGAUTAVUZNK-UHFFFAOYSA-N
MW318.82 g/mol
LogP4.56
Rot. Bonds4

About N-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine

N-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine (PubChem CID 3968538) has the molecular formula C18H20ClFN2 and a molecular weight of 318.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine
PubChem CID3968538
Molecular FormulaC18H20ClFN2
Molecular Weight318.82 g/mol
Exact Mass318.13
IUPAC NameN-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine
SMILESFc1cccc(CN2CCC(Nc3ccccc3Cl)CC2)c1
InChIInChI=1S/C18H20ClFN2/c19-17-6-1-2-7-18(17)21-16-8-10-22(11-9-16)13-14-4-3-5-15(20)12-14/h1-7,12,16,21H,8-11,13H2
InChIKeyYMYCGAUTAVUZNK-UHFFFAOYSA-N
XLogP4.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine (CID 3968538) is N-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine is Fc1cccc(CN2CCC(Nc3ccccc3Cl)CC2)c1.
What is the InChIKey of N-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine?
The InChIKey is YMYCGAUTAVUZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2/c19-17-6-1-2-7-18(17)21-16-8-10-22(11-9-16)13-14-4-3-5-15(20)12-14/h1-7,12,16,21H,8-11,13H2.
What are the key properties of N-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine?
N-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine has a molecular weight of 318.82 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 3968538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).