2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol

C19H31NO — CID 79060249

IUPAC2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol
SMILESCCCc1ccc(C(O)C(C)(CC)N2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-4-9-16-10-12-17(13-11-16)18(21)19(3,5-2)20-14-7-6-8-15-20/h10-13,18,21H,4-9,14-15H2,1-3H3
InChIKeyOPDNHRYDBRKAKB-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.33
Rot. Bonds6

About 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol

2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol (PubChem CID 79060249) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol
PubChem CID79060249
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol
SMILESCCCc1ccc(C(O)C(C)(CC)N2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-4-9-16-10-12-17(13-11-16)18(21)19(3,5-2)20-14-7-6-8-15-20/h10-13,18,21H,4-9,14-15H2,1-3H3
InChIKeyOPDNHRYDBRKAKB-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79064831
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one
CID 79059853
2-methyl-1-(4-propylphenyl)propane-1,2-diol
CID 103449002
1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79060075
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79704324
2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol
CID 79065620
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 79060271
1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79064990
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 79068633
1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060651
1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79065583
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069250

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol?
The IUPAC name of 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol (CID 79060249) is 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol.
What is the SMILES notation for 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol?
The canonical SMILES for 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol is CCCc1ccc(C(O)C(C)(CC)N2CCCCC2)cc1.
What is the InChIKey of 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol?
The InChIKey is OPDNHRYDBRKAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-9-16-10-12-17(13-11-16)18(21)19(3,5-2)20-14-7-6-8-15-20/h10-13,18,21H,4-9,14-15H2,1-3H3.
What are the key properties of 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol?
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol is sourced from PubChem (CID 79060249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).