3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

C16H22F3N3O — CID 70759832

IUPAC3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESOC1(CN2CCCCC2)CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)13-4-5-14(20-10-13)22-9-6-15(23,12-22)11-21-7-2-1-3-8-21/h4-5,10,23H,1-3,6-9,11-12H2
InChIKeyNTODVGPNXMJBAM-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.53
Rot. Bonds3

About 3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 70759832) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID70759832
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESOC1(CN2CCCCC2)CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)13-4-5-14(20-10-13)22-9-6-15(23,12-22)11-21-7-2-1-3-8-21/h4-5,10,23H,1-3,6-9,11-12H2
InChIKeyNTODVGPNXMJBAM-UHFFFAOYSA-N
XLogP2.53
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((5-(Trifluoromethyl)pyridin-2-yl)amino)ethan-1-ol
CID 2986104
3-(Piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol
CID 70711048
Piperidine, 1-(5-trifluoromethyl-2-pyridyl)-4-(1H-pyrrol-1-yl)-
CID 590131
4-(5-(Trifluoromethyl)pyridin-2-yl)morpholine
CID 764917
1-Methyl-4-(5-(trifluoromethyl)pyridin-2-yl)piperazine
CID 829355
2-(Pyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 2988804
2-(4-Methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
CID 2991205
N,N-diethyl-5-(trifluoromethyl)-2-pyridinamine
CID 2991705
2-(2-Methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
CID 4054943
1-[4-(Aminomethyl)pyridin-2-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 122516167
(3R,4R)-1-[4-(aminomethyl)-2-pyridinyl]-4-fluoropyrrolidin-3-ol
CID 165112499
1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine
CID 16414210

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (CID 70759832) is 3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is OC1(CN2CCCCC2)CCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is NTODVGPNXMJBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c17-16(18,19)13-4-5-14(20-10-13)22-9-6-15(23,12-22)11-21-7-2-1-3-8-21/h4-5,10,23H,1-3,6-9,11-12H2.
What are the key properties of 3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 329.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 70759832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).