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

C13H24ClF3N2O — CID 120849638

IUPAC2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride
SMILESCl.OC(C1CCCN(CC2CCCNC2)C1)C(F)(F)F
InChIInChI=1S/C13H23F3N2O.ClH/c14-13(15,16)12(19)11-4-2-6-18(9-11)8-10-3-1-5-17-7-10;/h10-12,17,19H,1-9H2;1H
InChIKeySBMJWUGUSDPQQT-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.04
Rot. Bonds3

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

2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride (PubChem CID 120849638) has the molecular formula C13H24ClF3N2O and a molecular weight of 316.80 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride
PubChem CID120849638
Molecular FormulaC13H24ClF3N2O
Molecular Weight316.80 g/mol
Exact Mass316.15
IUPAC Name2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride
SMILESCl.OC(C1CCCN(CC2CCCNC2)C1)C(F)(F)F
InChIInChI=1S/C13H23F3N2O.ClH/c14-13(15,16)12(19)11-4-2-6-18(9-11)8-10-3-1-5-17-7-10;/h10-12,17,19H,1-9H2;1H
InChIKeySBMJWUGUSDPQQT-UHFFFAOYSA-N
XLogP2.04
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidin-3-ylmethyl)-3-propan-2-ylpiperidine
CID 120848696
2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol
CID 120849117
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol
CID 119931535
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine
CID 62370892
3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846
3-[(3-methylpiperidin-1-yl)methyl]azepane
CID 112546585
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride
CID 119932299
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride (CID 120849638) is 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride is Cl.OC(C1CCCN(CC2CCCNC2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride?
The InChIKey is SBMJWUGUSDPQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O.ClH/c14-13(15,16)12(19)11-4-2-6-18(9-11)8-10-3-1-5-17-7-10;/h10-12,17,19H,1-9H2;1H.
What are the key properties of 2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride?
2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride has a molecular weight of 316.80 g/mol, XLogP of 2.04, 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-3-yl]ethanol;hydrochloride is sourced from PubChem (CID 120849638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).