[1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol

C12H22F3NO — CID 19014398

IUPAC[1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol
SMILESCCCCCN1CCC(C(F)(F)F)C(CO)C1
InChIInChI=1S/C12H22F3NO/c1-2-3-4-6-16-7-5-11(12(13,14)15)10(8-16)9-17/h10-11,17H,2-9H2,1H3
InChIKeyMYSSOXVPHPEBJU-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.67
Rot. Bonds5

About [1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol

[1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol (PubChem CID 19014398) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is [1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol
PubChem CID19014398
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol
SMILESCCCCCN1CCC(C(F)(F)F)C(CO)C1
InChIInChI=1S/C12H22F3NO/c1-2-3-4-6-16-7-5-11(12(13,14)15)10(8-16)9-17/h10-11,17H,2-9H2,1H3
InChIKeyMYSSOXVPHPEBJU-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol (CID 19014398) is [1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol is CCCCCN1CCC(C(F)(F)F)C(CO)C1.
What is the InChIKey of [1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol?
The InChIKey is MYSSOXVPHPEBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-3-4-6-16-7-5-11(12(13,14)15)10(8-16)9-17/h10-11,17H,2-9H2,1H3.
What are the key properties of [1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol?
[1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol has a molecular weight of 253.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 19014398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).