N-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine

C20H30F4N2 — CID 142906927

IUPACN-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine
SMILESFC1=CCC(CN(CC2CCCCC2)C2CCNCC2)C(C(F)(F)F)=C1
InChIInChI=1S/C20H30F4N2/c21-17-7-6-16(19(12-17)20(22,23)24)14-26(18-8-10-25-11-9-18)13-15-4-2-1-3-5-15/h7,12,15-16,18,25H,1-6,8-11,13-14H2
InChIKeyNNAAICORXPEODU-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.98
Rot. Bonds5

About N-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine

N-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine (PubChem CID 142906927) has the molecular formula C20H30F4N2 and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine
PubChem CID142906927
Molecular FormulaC20H30F4N2
Molecular Weight374.47 g/mol
Exact Mass374.23
IUPAC NameN-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine
SMILESFC1=CCC(CN(CC2CCCCC2)C2CCNCC2)C(C(F)(F)F)=C1
InChIInChI=1S/C20H30F4N2/c21-17-7-6-16(19(12-17)20(22,23)24)14-26(18-8-10-25-11-9-18)13-15-4-2-1-3-5-15/h7,12,15-16,18,25H,1-6,8-11,13-14H2
InChIKeyNNAAICORXPEODU-UHFFFAOYSA-N
XLogP4.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine (CID 142906927) is N-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine is FC1=CCC(CN(CC2CCCCC2)C2CCNCC2)C(C(F)(F)F)=C1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine?
The InChIKey is NNAAICORXPEODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F4N2/c21-17-7-6-16(19(12-17)20(22,23)24)14-26(18-8-10-25-11-9-18)13-15-4-2-1-3-5-15/h7,12,15-16,18,25H,1-6,8-11,13-14H2.
What are the key properties of N-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine?
N-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine has a molecular weight of 374.47 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 142906927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).