(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol

C17H27NO — CID 63371777

IUPAC(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C17H27NO/c1-13(19)14-5-7-16(8-6-14)18-11-9-15(10-12-18)17(2,3)4/h5-8,13,15,19H,9-12H2,1-4H3/t13-/m0/s1
InChIKeyZVHBZXXZZLIPED-ZDUSSCGKSA-N
MW261.41 g/mol
LogP4.00
Rot. Bonds2

About (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol

(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol (PubChem CID 63371777) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
PubChem CID63371777
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C17H27NO/c1-13(19)14-5-7-16(8-6-14)18-11-9-15(10-12-18)17(2,3)4/h5-8,13,15,19H,9-12H2,1-4H3/t13-/m0/s1
InChIKeyZVHBZXXZZLIPED-ZDUSSCGKSA-N
XLogP4.00
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 ≤ 54.00
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 (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol (CID 63371777) is (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol is C[C@H](O)c1ccc(N2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol?
The InChIKey is ZVHBZXXZZLIPED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(19)14-5-7-16(8-6-14)18-11-9-15(10-12-18)17(2,3)4/h5-8,13,15,19H,9-12H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol?
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol has a molecular weight of 261.41 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 63371777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).