1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol

C17H27NO — CID 82073524

IUPAC1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
SMILESCCc1ccc(C(O)CCN2CCCC(C)C2)cc1
InChIInChI=1S/C17H27NO/c1-3-15-6-8-16(9-7-15)17(19)10-12-18-11-4-5-14(2)13-18/h6-9,14,17,19H,3-5,10-13H2,1-2H3
InChIKeyQGLLHJIGPOAQKO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.40
Rot. Bonds5

About 1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol

1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol (PubChem CID 82073524) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
PubChem CID82073524
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
SMILESCCc1ccc(C(O)CCN2CCCC(C)C2)cc1
InChIInChI=1S/C17H27NO/c1-3-15-6-8-16(9-7-15)17(19)10-12-18-11-4-5-14(2)13-18/h6-9,14,17,19H,3-5,10-13H2,1-2H3
InChIKeyQGLLHJIGPOAQKO-UHFFFAOYSA-N
XLogP3.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073686
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981654
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454
1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82074380
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
6-[1-hydroxy-3-(3-methylpiperidin-1-yl)propyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 110830655
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol (CID 82073524) is 1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol is CCc1ccc(C(O)CCN2CCCC(C)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is QGLLHJIGPOAQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-15-6-8-16(9-7-15)17(19)10-12-18-11-4-5-14(2)13-18/h6-9,14,17,19H,3-5,10-13H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 82073524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).