[3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol

C17H27NO — CID 66059792

IUPAC[3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol
SMILESCC(C)(C)c1ccc(CC2(CO)CCCNC2)cc1
InChIInChI=1S/C17H27NO/c1-16(2,3)15-7-5-14(6-8-15)11-17(13-19)9-4-10-18-12-17/h5-8,18-19H,4,9-13H2,1-3H3
InChIKeyVVWSBBGBYOKJIY-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.89
Rot. Bonds3

About [3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol

[3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 66059792) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol
PubChem CID66059792
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol
SMILESCC(C)(C)c1ccc(CC2(CO)CCCNC2)cc1
InChIInChI=1S/C17H27NO/c1-16(2,3)15-7-5-14(6-8-15)11-17(13-19)9-4-10-18-12-17/h5-8,18-19H,4,9-13H2,1-3H3
InChIKeyVVWSBBGBYOKJIY-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol (CID 66059792) is [3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol is CC(C)(C)c1ccc(CC2(CO)CCCNC2)cc1.
What is the InChIKey of [3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is VVWSBBGBYOKJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,3)15-7-5-14(6-8-15)11-17(13-19)9-4-10-18-12-17/h5-8,18-19H,4,9-13H2,1-3H3.
What are the key properties of [3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol?
[3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 261.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 66059792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).