[(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol

C18H26F3NO2 — CID 97134640

IUPAC[(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
SMILESCOCCC[C@@]1(CO)CCCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H26F3NO2/c1-24-11-5-9-17(14-23)8-4-10-22(13-17)12-15-6-2-3-7-16(15)18(19,20)21/h2-3,6-7,23H,4-5,8-14H2,1H3/t17-/m0/s1
InChIKeyUBNNXCKMYZHRJK-KRWDZBQOSA-N
MW345.40 g/mol
LogP3.71
Rot. Bonds7

About [(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol

[(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol (PubChem CID 97134640) has the molecular formula C18H26F3NO2 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
PubChem CID97134640
Molecular FormulaC18H26F3NO2
Molecular Weight345.40 g/mol
Exact Mass345.19
IUPAC Name[(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
SMILESCOCCC[C@@]1(CO)CCCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H26F3NO2/c1-24-11-5-9-17(14-23)8-4-10-22(13-17)12-15-6-2-3-7-16(15)18(19,20)21/h2-3,6-7,23H,4-5,8-14H2,1H3/t17-/m0/s1
InChIKeyUBNNXCKMYZHRJK-KRWDZBQOSA-N
XLogP3.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol (CID 97134640) is [(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol is COCCC[C@@]1(CO)CCCN(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of [(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The InChIKey is UBNNXCKMYZHRJK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26F3NO2/c1-24-11-5-9-17(14-23)8-4-10-22(13-17)12-15-6-2-3-7-16(15)18(19,20)21/h2-3,6-7,23H,4-5,8-14H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
[(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol has a molecular weight of 345.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3-methoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 97134640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).