1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine

C11H19F3N2 — CID 62370892

IUPAC1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCN(CC2CCNC2)C1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)10-2-1-5-16(8-10)7-9-3-4-15-6-9/h9-10,15H,1-8H2
InChIKeyBKYOGNZJTCBOOZ-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.87
Rot. Bonds2

About 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine

1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine (PubChem CID 62370892) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine
PubChem CID62370892
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCN(CC2CCNC2)C1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)10-2-1-5-16(8-10)7-9-3-4-15-6-9/h9-10,15H,1-8H2
InChIKeyBKYOGNZJTCBOOZ-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane
CID 103371914
(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86323532
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine
CID 62370527
1-[(1-ethylpiperidin-4-yl)methyl]-6-(trifluoromethyl)-1,4-diazepane
CID 103371982
2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride
CID 120849638
1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine
CID 81045404
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
3-[(3-methylpiperidin-1-yl)methyl]azepane
CID 112546585
3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine (CID 62370892) is 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine is FC(F)(F)C1CCCN(CC2CCNC2)C1.
What is the InChIKey of 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine?
The InChIKey is BKYOGNZJTCBOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)10-2-1-5-16(8-10)7-9-3-4-15-6-9/h9-10,15H,1-8H2.
What are the key properties of 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine?
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine has a molecular weight of 236.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 62370892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).