2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol

C17H18F3NO — CID 166536342

IUPAC2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol
SMILESOC(c1ccc2cc(N3CCCCC3)ccc2c1)C(F)(F)F
InChIInChI=1S/C17H18F3NO/c18-17(19,20)16(22)14-5-4-13-11-15(7-6-12(13)10-14)21-8-2-1-3-9-21/h4-7,10-11,16,22H,1-3,8-9H2
InChIKeyQCCBCDJLDIQDDG-UHFFFAOYSA-N
MW309.33 g/mol
LogP4.43
Rot. Bonds2

About 2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol

2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol (PubChem CID 166536342) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol
PubChem CID166536342
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol
SMILESOC(c1ccc2cc(N3CCCCC3)ccc2c1)C(F)(F)F
InChIInChI=1S/C17H18F3NO/c18-17(19,20)16(22)14-5-4-13-11-15(7-6-12(13)10-14)21-8-2-1-3-9-21/h4-7,10-11,16,22H,1-3,8-9H2
InChIKeyQCCBCDJLDIQDDG-UHFFFAOYSA-N
XLogP4.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine
CID 58426575
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol
CID 102036092
formamide;1-naphthalen-2-ylpiperidine
CID 175550918
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(23-piperidin-1-yl-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-9-yl)piperidine
CID 155361898
4-piperidin-1-yl-2,6-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 11634401
3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide
CID 175912283
4-(azepan-1-yl)-2-(trifluoromethyl)benzonitrile
CID 43320619
(3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 171245296
(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171252024

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol (CID 166536342) is 2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol is OC(c1ccc2cc(N3CCCCC3)ccc2c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol?
The InChIKey is QCCBCDJLDIQDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c18-17(19,20)16(22)14-5-4-13-11-15(7-6-12(13)10-14)21-8-2-1-3-9-21/h4-7,10-11,16,22H,1-3,8-9H2.
What are the key properties of 2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol?
2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol has a molecular weight of 309.33 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol is sourced from PubChem (CID 166536342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).