N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine

C14H25F3N2 — CID 114763404

IUPACN-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine
SMILESCCNC1CCC(N2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C14H25F3N2/c1-2-18-12-5-7-13(8-6-12)19-9-3-4-11(10-19)14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyKTLKDWZDUJHYNV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds3

About N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine

N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine (PubChem CID 114763404) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine
PubChem CID114763404
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine
SMILESCCNC1CCC(N2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C14H25F3N2/c1-2-18-12-5-7-13(8-6-12)19-9-3-4-11(10-19)14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyKTLKDWZDUJHYNV-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dimethylpyrrolidin-1-yl)-N-ethylcyclohexan-1-amine
CID 114763444
3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine
CID 80561868
N-ethyl-4-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 114763207
1-cyclopentyl-N-ethylpiperidin-4-amine
CID 43315368
ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine
CID 170747754
N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 113281847
N-ethyl-3-piperidin-1-ylcyclopentan-1-amine
CID 79643289
[1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine
CID 64753900
1-[1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]ethanamine
CID 64754901
1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
CID 79639239
6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 170226749
N-ethyl-1-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43315476

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine (CID 114763404) is N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine is CCNC1CCC(N2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine?
The InChIKey is KTLKDWZDUJHYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-2-18-12-5-7-13(8-6-12)19-9-3-4-11(10-19)14(15,16)17/h11-13,18H,2-10H2,1H3.
What are the key properties of N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine?
N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 114763404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).