[1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine

C16H29F3N2 — CID 103494802

IUPAC[1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC(C)C1CCN(C2(CN)CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H29F3N2/c1-12(2)13-5-9-21(10-6-13)15(11-20)7-3-14(4-8-15)16(17,18)19/h12-14H,3-11,20H2,1-2H3
InChIKeyXDPDUKILOGKYCX-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.80
Rot. Bonds3

About [1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine

[1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 103494802) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is [1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID103494802
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC Name[1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC(C)C1CCN(C2(CN)CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H29F3N2/c1-12(2)13-5-9-21(10-6-13)15(11-20)7-3-14(4-8-15)16(17,18)19/h12-14H,3-11,20H2,1-2H3
InChIKeyXDPDUKILOGKYCX-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4,4-diethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63467046
[1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755486
[1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 55248044
[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine
CID 103494627
[3,5-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methanamine
CID 103494626
[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 106822368
[4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine
CID 65091150
[1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757802
[1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755313
[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65091393
[1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757805
(4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 29033800

Frequently Asked Questions

What is the IUPAC name of [1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine (CID 103494802) is [1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine is CC(C)C1CCN(C2(CN)CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of [1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is XDPDUKILOGKYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-12(2)13-5-9-21(10-6-13)15(11-20)7-3-14(4-8-15)16(17,18)19/h12-14H,3-11,20H2,1-2H3.
What are the key properties of [1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
[1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 306.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 103494802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).