4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol

C17H27NO — CID 65146689

IUPAC4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H27NO/c1-16(2,3)15-7-5-14(6-8-15)13-17(19)9-11-18(4)12-10-17/h5-8,19H,9-13H2,1-4H3
InChIKeyYRZRVUMDGKHFHP-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.98
Rot. Bonds2

About 4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol

4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol (PubChem CID 65146689) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol
PubChem CID65146689
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H27NO/c1-16(2,3)15-7-5-14(6-8-15)13-17(19)9-11-18(4)12-10-17/h5-8,19H,9-13H2,1-4H3
InChIKeyYRZRVUMDGKHFHP-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol (CID 65146689) is 4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol is CN1CCC(O)(Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol?
The InChIKey is YRZRVUMDGKHFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,3)15-7-5-14(6-8-15)13-17(19)9-11-18(4)12-10-17/h5-8,19H,9-13H2,1-4H3.
What are the key properties of 4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol?
4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol has a molecular weight of 261.41 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 65146689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).