1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine

C22H33F2N — CID 18517264

IUPAC1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine
SMILESCCCC1CCC(C2CCN(c3ccc(C)cc3C(F)F)CC2)CC1
InChIInChI=1S/C22H33F2N/c1-3-4-17-6-8-18(9-7-17)19-11-13-25(14-12-19)21-10-5-16(2)15-20(21)22(23)24/h5,10,15,17-19,22H,3-4,6-9,11-14H2,1-2H3
InChIKeyLHKQIUOBDVLLDC-UHFFFAOYSA-N
MW349.51 g/mol
LogP6.76
Rot. Bonds5

About 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine

1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine (PubChem CID 18517264) has the molecular formula C22H33F2N and a molecular weight of 349.51 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine
PubChem CID18517264
Molecular FormulaC22H33F2N
Molecular Weight349.51 g/mol
Exact Mass349.26
IUPAC Name1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine
SMILESCCCC1CCC(C2CCN(c3ccc(C)cc3C(F)F)CC2)CC1
InChIInChI=1S/C22H33F2N/c1-3-4-17-6-8-18(9-7-17)19-11-13-25(14-12-19)21-10-5-16(2)15-20(21)22(23)24/h5,10,15,17-19,22H,3-4,6-9,11-14H2,1-2H3
InChIKeyLHKQIUOBDVLLDC-UHFFFAOYSA-N
XLogP6.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.51
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Phenyl-4-(2-phenylpropyl)piperazine
CID 2845633
1-(2,4-dimethylphenyl)-4-{[(1S,2S)-2-phenylcyclopropyl]methyl}piperazine
CID 9797161
1-(2,4-dimethylphenyl)-4-(((1R,2S)-2-phenylcyclopropyl)methyl)piperazine
CID 9901646
N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline
CID 15093876
1-(2,4-Dimethylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide
CID 18613655
1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperazine;hydrobromide
CID 49860016
1-(2,4-dimethylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine;hydrobromide
CID 52946554
NOP agonist-1
CID 129188459
Benzidine, N,N,N',N'-tetraethyl-
CID 201809
Sifaprazine
CID 3058753
Cambridge id 5418213
CID 782253
1-(2,4-dimethylphenyl)-4-(((1S,2R)-2-phenylcyclopropyl)methyl)piperazine
CID 9858274

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine?
The IUPAC name of 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine (CID 18517264) is 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine.
What is the SMILES notation for 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine?
The canonical SMILES for 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine is CCCC1CCC(C2CCN(c3ccc(C)cc3C(F)F)CC2)CC1.
What is the InChIKey of 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine?
The InChIKey is LHKQIUOBDVLLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F2N/c1-3-4-17-6-8-18(9-7-17)19-11-13-25(14-12-19)21-10-5-16(2)15-20(21)22(23)24/h5,10,15,17-19,22H,3-4,6-9,11-14H2,1-2H3.
What are the key properties of 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine?
1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine has a molecular weight of 349.51 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-propylcyclohexyl)piperidine is sourced from PubChem (CID 18517264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).