4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol

C17H27NO — CID 114510286

IUPAC4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol
SMILESCCC1CNCCC1(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO/c1-5-13-12-18-11-10-17(13,19)15-8-6-14(7-9-15)16(2,3)4/h6-9,13,18-19H,5,10-12H2,1-4H3
InChIKeyLSRDTVIKTRPDMF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.19
Rot. Bonds2

About 4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol

4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol (PubChem CID 114510286) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol
PubChem CID114510286
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol
SMILESCCC1CNCCC1(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO/c1-5-13-12-18-11-10-17(13,19)15-8-6-14(7-9-15)16(2,3)4/h6-9,13,18-19H,5,10-12H2,1-4H3
InChIKeyLSRDTVIKTRPDMF-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol?
The IUPAC name of 4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol (CID 114510286) is 4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol.
What is the SMILES notation for 4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol?
The canonical SMILES for 4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol is CCC1CNCCC1(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol?
The InChIKey is LSRDTVIKTRPDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-13-12-18-11-10-17(13,19)15-8-6-14(7-9-15)16(2,3)4/h6-9,13,18-19H,5,10-12H2,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol?
4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol has a molecular weight of 261.41 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol is sourced from PubChem (CID 114510286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).