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

C20H29F2N — CID 20591649

IUPAC1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-methylcyclohexyl)piperidine
SMILESCc1ccc(N2CCC(C3CCC(C)CC3)CC2)c(C(F)F)c1
InChIInChI=1S/C20H29F2N/c1-14-3-6-16(7-4-14)17-9-11-23(12-10-17)19-8-5-15(2)13-18(19)20(21)22/h5,8,13-14,16-17,20H,3-4,6-7,9-12H2,1-2H3
InChIKeyLETVVUYWZRPJPX-UHFFFAOYSA-N
MW321.45 g/mol
LogP5.98
Rot. Bonds3

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

1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-methylcyclohexyl)piperidine (PubChem CID 20591649) has the molecular formula C20H29F2N and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-methylcyclohexyl)piperidine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-methylcyclohexyl)piperidine
PubChem CID20591649
Molecular FormulaC20H29F2N
Molecular Weight321.45 g/mol
Exact Mass321.23
IUPAC Name1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-methylcyclohexyl)piperidine
SMILESCc1ccc(N2CCC(C3CCC(C)CC3)CC2)c(C(F)F)c1
InChIInChI=1S/C20H29F2N/c1-14-3-6-16(7-4-14)17-9-11-23(12-10-17)19-8-5-15(2)13-18(19)20(21)22/h5,8,13-14,16-17,20H,3-4,6-7,9-12H2,1-2H3
InChIKeyLETVVUYWZRPJPX-UHFFFAOYSA-N
XLogP5.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.45
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4'-methylenebis[N,N-diethylaniline]
CID 67288
1,4-Bis(2,6-dimethylphenyl)piperazine
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CID 2845779
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
Benzidine, N,N,N',N'-tetraethyl-
CID 201809
Sifaprazine
CID 3058753

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-methylcyclohexyl)piperidine?
The IUPAC name of 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-methylcyclohexyl)piperidine (CID 20591649) is 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-methylcyclohexyl)piperidine.
What is the SMILES notation for 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-methylcyclohexyl)piperidine?
The canonical SMILES for 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-methylcyclohexyl)piperidine is Cc1ccc(N2CCC(C3CCC(C)CC3)CC2)c(C(F)F)c1.
What is the InChIKey of 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-methylcyclohexyl)piperidine?
The InChIKey is LETVVUYWZRPJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N/c1-14-3-6-16(7-4-14)17-9-11-23(12-10-17)19-8-5-15(2)13-18(19)20(21)22/h5,8,13-14,16-17,20H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of 1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-methylcyclohexyl)piperidine?
1-[2-(difluoromethyl)-4-methylphenyl]-4-(4-methylcyclohexyl)piperidine has a molecular weight of 321.45 g/mol, XLogP of 5.98, 3 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-methylcyclohexyl)piperidine is sourced from PubChem (CID 20591649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).