[4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol

C17H27NO — CID 62135741

IUPAC[4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol
SMILESCc1cc(N2CCC(C(C)(C)C)CC2)ccc1CO
InChIInChI=1S/C17H27NO/c1-13-11-16(6-5-14(13)12-19)18-9-7-15(8-10-18)17(2,3)4/h5-6,11,15,19H,7-10,12H2,1-4H3
InChIKeyFYJYBBALIJBXEY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.75
Rot. Bonds2

About [4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol

[4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol (PubChem CID 62135741) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol
PubChem CID62135741
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol
SMILESCc1cc(N2CCC(C(C)(C)C)CC2)ccc1CO
InChIInChI=1S/C17H27NO/c1-13-11-16(6-5-14(13)12-19)18-9-7-15(8-10-18)17(2,3)4/h5-6,11,15,19H,7-10,12H2,1-4H3
InChIKeyFYJYBBALIJBXEY-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol?
The IUPAC name of [4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol (CID 62135741) is [4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol.
What is the SMILES notation for [4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol?
The canonical SMILES for [4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol is Cc1cc(N2CCC(C(C)(C)C)CC2)ccc1CO.
What is the InChIKey of [4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol?
The InChIKey is FYJYBBALIJBXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-11-16(6-5-14(13)12-19)18-9-7-15(8-10-18)17(2,3)4/h5-6,11,15,19H,7-10,12H2,1-4H3.
What are the key properties of [4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol?
[4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol has a molecular weight of 261.41 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol is sourced from PubChem (CID 62135741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).