[4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol

C17H27NO — CID 66259760

IUPAC[4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol
SMILESCCC(C)(C)c1ccc(C(O)C2CCCNC2)cc1
InChIInChI=1S/C17H27NO/c1-4-17(2,3)15-9-7-13(8-10-15)16(19)14-6-5-11-18-12-14/h7-10,14,16,18-19H,4-6,11-12H2,1-3H3
InChIKeyVAJYRIHBKLLQDE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.41
Rot. Bonds4

About [4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol

[4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol (PubChem CID 66259760) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol
PubChem CID66259760
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol
SMILESCCC(C)(C)c1ccc(C(O)C2CCCNC2)cc1
InChIInChI=1S/C17H27NO/c1-4-17(2,3)15-9-7-13(8-10-15)16(19)14-6-5-11-18-12-14/h7-10,14,16,18-19H,4-6,11-12H2,1-3H3
InChIKeyVAJYRIHBKLLQDE-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
[4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol
CID 82303366
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol
CID 79023931
3-[(4-tert-butylphenyl)-fluoromethyl]piperidine
CID 112565434
3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride
CID 56831129
1-[bromo(cyclobutyl)methyl]-4-(2-methylbutan-2-yl)benzene
CID 66257463
(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 135313112
(5-ethylthiophen-2-yl)-piperidin-3-ylmethanol
CID 43146513
(3-chlorophenyl)-[(3R)-piperidin-3-yl]methanol
CID 67190676
3-[1-(4-methylphenyl)propyl]piperidine
CID 83910141
3-[1-(4-fluorophenyl)propyl]piperidine
CID 83910611

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol?
The IUPAC name of [4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol (CID 66259760) is [4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol.
What is the SMILES notation for [4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol?
The canonical SMILES for [4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol is CCC(C)(C)c1ccc(C(O)C2CCCNC2)cc1.
What is the InChIKey of [4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol?
The InChIKey is VAJYRIHBKLLQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-17(2,3)15-9-7-13(8-10-15)16(19)14-6-5-11-18-12-14/h7-10,14,16,18-19H,4-6,11-12H2,1-3H3.
What are the key properties of [4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol?
[4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol has a molecular weight of 261.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol is sourced from PubChem (CID 66259760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).