[1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine

C24H29ClF3N3 — CID 158623408

IUPAC[1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine
SMILESNCC1(c2cccc(Cl)c2)CCC(N2CCC(c3cc(C(F)(F)F)ccn3)CC2)CC1
InChIInChI=1S/C24H29ClF3N3/c25-20-3-1-2-18(14-20)23(16-29)9-4-21(5-10-23)31-12-7-17(8-13-31)22-15-19(6-11-30-22)24(26,27)28/h1-3,6,11,14-15,17,21H,4-5,7-10,12-13,16,29H2
InChIKeyHYGYVWOREWWPLT-UHFFFAOYSA-N
MW451.96 g/mol
LogP5.77
Rot. Bonds4

About [1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine

[1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine (PubChem CID 158623408) has the molecular formula C24H29ClF3N3 and a molecular weight of 451.96 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine
PubChem CID158623408
Molecular FormulaC24H29ClF3N3
Molecular Weight451.96 g/mol
Exact Mass451.20
IUPAC Name[1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine
SMILESNCC1(c2cccc(Cl)c2)CCC(N2CCC(c3cc(C(F)(F)F)ccn3)CC2)CC1
InChIInChI=1S/C24H29ClF3N3/c25-20-3-1-2-18(14-20)23(16-29)9-4-21(5-10-23)31-12-7-17(8-13-31)22-15-19(6-11-30-22)24(26,27)28/h1-3,6,11,14-15,17,21H,4-5,7-10,12-13,16,29H2
InChIKeyHYGYVWOREWWPLT-UHFFFAOYSA-N
XLogP5.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.96
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one
CID 70296560
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976
6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 70295852
3-[7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 71184591
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-phenylpyridazin-3-one;hydrochloride
CID 71184621
[1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine
CID 25168758
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one;hydrochloride
CID 71184626
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(4-methylphenyl)pyridazin-3-one
CID 70296028
1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]piperidin-2-one;1-[1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-4-yl]pyrrolidin-2-one;[4-(4-benzylpiperidin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methanamine;[4-(4-methylpiperidin-1-yl)-1-phenylcyclohexyl]methanamine
CID 158021751
2-cyclopentyl-4-(trifluoromethyl)pyridine
CID 144787930
(8aR)-2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 70297118
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1,4-dihydroisoquinolin-3-one
CID 70297048

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine?
The IUPAC name of [1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine (CID 158623408) is [1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine is NCC1(c2cccc(Cl)c2)CCC(N2CCC(c3cc(C(F)(F)F)ccn3)CC2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine?
The InChIKey is HYGYVWOREWWPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClF3N3/c25-20-3-1-2-18(14-20)23(16-29)9-4-21(5-10-23)31-12-7-17(8-13-31)22-15-19(6-11-30-22)24(26,27)28/h1-3,6,11,14-15,17,21H,4-5,7-10,12-13,16,29H2.
What are the key properties of [1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine?
[1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine has a molecular weight of 451.96 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine is sourced from PubChem (CID 158623408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).