[3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol

C17H23F3N2O — CID 70730752

IUPAC[3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol
SMILESOCC1(CC2CC2)CCCN(Cc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)15-5-4-14(9-21-15)10-22-7-1-6-16(11-22,12-23)8-13-2-3-13/h4-5,9,13,23H,1-3,6-8,10-12H2
InChIKeyPDMQMGFMANGKNZ-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.47
Rot. Bonds5

About [3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol

[3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol (PubChem CID 70730752) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol
PubChem CID70730752
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name[3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol
SMILESOCC1(CC2CC2)CCCN(Cc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)15-5-4-14(9-21-15)10-22-7-1-6-16(11-22,12-23)8-13-2-3-13/h4-5,9,13,23H,1-3,6-8,10-12H2
InChIKeyPDMQMGFMANGKNZ-UHFFFAOYSA-N
XLogP3.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol (CID 70730752) is [3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol is OCC1(CC2CC2)CCCN(Cc2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of [3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol?
The InChIKey is PDMQMGFMANGKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)15-5-4-14(9-21-15)10-22-7-1-6-16(11-22,12-23)8-13-2-3-13/h4-5,9,13,23H,1-3,6-8,10-12H2.
What are the key properties of [3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol?
[3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol has a molecular weight of 328.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 70730752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).