4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol

C14H25F3N2O — CID 110021852

IUPAC4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(NC2CCN(CCC(F)(F)F)CC2)CC1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)7-10-19-8-5-12(6-9-19)18-11-1-3-13(20)4-2-11/h11-13,18,20H,1-10H2
InChIKeyQUPNSBBYAKCZPG-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.30
Rot. Bonds4

About 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol

4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 110021852) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol
PubChem CID110021852
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(NC2CCN(CCC(F)(F)F)CC2)CC1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)7-10-19-8-5-12(6-9-19)18-11-1-3-13(20)4-2-11/h11-13,18,20H,1-10H2
InChIKeyQUPNSBBYAKCZPG-UHFFFAOYSA-N
XLogP2.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 75500546
1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
CID 90482882
N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 97347162
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
CID 62319981
1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 59333911
1-(3,3,3-trifluoropropyl)piperidine-4-carbonyl chloride
CID 59333934
3-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]pentan-2-ol
CID 110021899
1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64754462
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
CID 64565266
N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
CID 50968311
N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922398
2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid
CID 79605681

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol (CID 110021852) is 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(NC2CCN(CCC(F)(F)F)CC2)CC1.
What is the InChIKey of 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is QUPNSBBYAKCZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c15-14(16,17)7-10-19-8-5-12(6-9-19)18-11-1-3-13(20)4-2-11/h11-13,18,20H,1-10H2.
What are the key properties of 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol?
4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 294.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 110021852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).