1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol

C19H31NO — CID 103502832

IUPAC1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
SMILESCc1cc(C)cc(C(O)CCN2CCC(C(C)C)CC2)c1
InChIInChI=1S/C19H31NO/c1-14(2)17-5-8-20(9-6-17)10-7-19(21)18-12-15(3)11-16(4)13-18/h11-14,17,19,21H,5-10H2,1-4H3
InChIKeyWLFCIIIQERUFIS-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.09
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol

1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol (PubChem CID 103502832) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
PubChem CID103502832
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
SMILESCc1cc(C)cc(C(O)CCN2CCC(C(C)C)CC2)c1
InChIInChI=1S/C19H31NO/c1-14(2)17-5-8-20(9-6-17)10-7-19(21)18-12-15(3)11-16(4)13-18/h11-14,17,19,21H,5-10H2,1-4H3
InChIKeyWLFCIIIQERUFIS-UHFFFAOYSA-N
XLogP4.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol
CID 104960773
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 113418919
1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111476808
1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102886666
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073408
3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82073558
(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025498
1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 79037989
3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
CID 62612441
1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073865

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol (CID 103502832) is 1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol is Cc1cc(C)cc(C(O)CCN2CCC(C(C)C)CC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol?
The InChIKey is WLFCIIIQERUFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)17-5-8-20(9-6-17)10-7-19(21)18-12-15(3)11-16(4)13-18/h11-14,17,19,21H,5-10H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol?
1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 103502832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).