[3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol

C16H25NO — CID 103498515

IUPAC[3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol
SMILESCc1cc(CO)ccc1N1CCC(C(C)C)CC1
InChIInChI=1S/C16H25NO/c1-12(2)15-6-8-17(9-7-15)16-5-4-14(11-18)10-13(16)3/h4-5,10,12,15,18H,6-9,11H2,1-3H3
InChIKeyYJDLDYVERPBPQN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.36
Rot. Bonds3

About [3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol

[3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol (PubChem CID 103498515) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol
PubChem CID103498515
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol
SMILESCc1cc(CO)ccc1N1CCC(C(C)C)CC1
InChIInChI=1S/C16H25NO/c1-12(2)15-6-8-17(9-7-15)16-5-4-14(11-18)10-13(16)3/h4-5,10,12,15,18H,6-9,11H2,1-3H3
InChIKeyYJDLDYVERPBPQN-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol
CID 55039974
1-[4-(hydroxymethyl)-2-methylphenyl]pyrrolidin-3-ol
CID 62941166
[3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
CID 62122049
[3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
CID 113418166
[3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 79174316
N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide
CID 102736595
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylphenyl]methanol
CID 62121729
[3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol
CID 63170440
2-[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]ethanol
CID 82290403
[4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol
CID 114196611
[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]methanol
CID 81152536
N-[[3-fluoro-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499514

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol?
The IUPAC name of [3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol (CID 103498515) is [3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol is Cc1cc(CO)ccc1N1CCC(C(C)C)CC1.
What is the InChIKey of [3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol?
The InChIKey is YJDLDYVERPBPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)15-6-8-17(9-7-15)16-5-4-14(11-18)10-13(16)3/h4-5,10,12,15,18H,6-9,11H2,1-3H3.
What are the key properties of [3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol?
[3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 103498515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).