2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol

C13H23F3N2O — CID 120849117

IUPAC2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol
SMILESOC(C1CCCCN1CC1CCCNC1)C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)12(19)11-5-1-2-7-18(11)9-10-4-3-6-17-8-10/h10-12,17,19H,1-9H2
InChIKeyBPWALQRJDJKSHX-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.76
Rot. Bonds3

About 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol

2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol (PubChem CID 120849117) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol
PubChem CID120849117
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol
SMILESOC(C1CCCCN1CC1CCCNC1)C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)12(19)11-5-1-2-7-18(11)9-10-4-3-6-17-8-10/h10-12,17,19H,1-9H2
InChIKeyBPWALQRJDJKSHX-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride
CID 120849638
(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124814973
1-[4-methyl-1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol
CID 120849928
1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol
CID 84733447
1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]prop-2-en-1-one
CID 175432939
(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
CID 130522112
(2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride
CID 165128543
3,3-difluoro-4-piperidin-3-ylbutan-2-ol
CID 105446942
2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride
CID 56831717
2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane
CID 114086520
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol (CID 120849117) is 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol is OC(C1CCCCN1CC1CCCNC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol?
The InChIKey is BPWALQRJDJKSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)12(19)11-5-1-2-7-18(11)9-10-4-3-6-17-8-10/h10-12,17,19H,1-9H2.
What are the key properties of 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol?
2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol has a molecular weight of 280.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 120849117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).