1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine

C23H22Cl2FN3 — CID 56672780

IUPAC1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine
SMILESFc1cc(Cl)ccc1N1CCC(NC(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C23H22Cl2FN3/c24-18-5-3-16(4-6-18)23(17-2-1-11-27-15-17)28-20-9-12-29(13-10-20)22-8-7-19(25)14-21(22)26/h1-8,11,14-15,20,23,28H,9-10,12-13H2
InChIKeyJLLMEXHLPNTIKG-UHFFFAOYSA-N
MW430.35 g/mol
LogP5.88
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine

1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine (PubChem CID 56672780) has the molecular formula C23H22Cl2FN3 and a molecular weight of 430.35 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine
PubChem CID56672780
Molecular FormulaC23H22Cl2FN3
Molecular Weight430.35 g/mol
Exact Mass429.12
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine
SMILESFc1cc(Cl)ccc1N1CCC(NC(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C23H22Cl2FN3/c24-18-5-3-16(4-6-18)23(17-2-1-11-27-15-17)28-20-9-12-29(13-10-20)22-8-7-19(25)14-21(22)26/h1-8,11,14-15,20,23,28H,9-10,12-13H2
InChIKeyJLLMEXHLPNTIKG-UHFFFAOYSA-N
XLogP5.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.35
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine
CID 56658791
2-[4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-1,3-thiazole-5-carbonitrile
CID 56669062
phenyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate
CID 56682752
4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide
CID 56682756
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-[(3-chloro-4-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 63087157
N-[bis(4-chlorophenyl)methyl]cyclohexanamine
CID 97355554
[4-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperazin-1-yl]-cyclopropylmethanone
CID 56668892
3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine
CID 121014902
1-(4-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 156503762
N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride
CID 117067004
2-(4-chloro-2-fluorophenyl)-6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptane
CID 162379993

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine (CID 56672780) is 1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine is Fc1cc(Cl)ccc1N1CCC(NC(c2ccc(Cl)cc2)c2cccnc2)CC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine?
The InChIKey is JLLMEXHLPNTIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2FN3/c24-18-5-3-16(4-6-18)23(17-2-1-11-27-15-17)28-20-9-12-29(13-10-20)22-8-7-19(25)14-21(22)26/h1-8,11,14-15,20,23,28H,9-10,12-13H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine?
1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine has a molecular weight of 430.35 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine is sourced from PubChem (CID 56672780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).