2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol

C19H31NO — CID 139596448

IUPAC2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
SMILESCC(Cc1ccc(C(C)(C)CO)cc1)CN1CCCCC1
InChIInChI=1S/C19H31NO/c1-16(14-20-11-5-4-6-12-20)13-17-7-9-18(10-8-17)19(2,3)15-21/h7-10,16,21H,4-6,11-15H2,1-3H3
InChIKeyOORJXFNLXOTWLL-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.62
Rot. Bonds6

About 2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol

2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol (PubChem CID 139596448) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
PubChem CID139596448
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
SMILESCC(Cc1ccc(C(C)(C)CO)cc1)CN1CCCCC1
InChIInChI=1S/C19H31NO/c1-16(14-20-11-5-4-6-12-20)13-17-7-9-18(10-8-17)19(2,3)15-21/h7-10,16,21H,4-6,11-15H2,1-3H3
InChIKeyOORJXFNLXOTWLL-UHFFFAOYSA-N
XLogP3.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine
CID 139561533
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine
CID 13251981
1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine-3-carboxylic acid
CID 122040846
dimethyl-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]-phenylsilane
CID 13292194
1-(azepan-1-yl)-3-(4-tert-butylphenyl)propan-2-amine;dihydrochloride
CID 10155485
2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol
CID 143865960
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4,4-dimethoxypiperidine
CID 70600222
(2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
CID 124510585
1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine
CID 135225472
1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine
CID 135225295
1-[2-(4-tert-butylphenyl)propyl]piperidine
CID 73116860
1-(azepan-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
CID 18807362

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol?
The IUPAC name of 2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol (CID 139596448) is 2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol is CC(Cc1ccc(C(C)(C)CO)cc1)CN1CCCCC1.
What is the InChIKey of 2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol?
The InChIKey is OORJXFNLXOTWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-16(14-20-11-5-4-6-12-20)13-17-7-9-18(10-8-17)19(2,3)15-21/h7-10,16,21H,4-6,11-15H2,1-3H3.
What are the key properties of 2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol?
2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol is sourced from PubChem (CID 139596448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).