1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol

C16H25NO — CID 62623454

IUPAC1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
SMILESCc1ccccc1C(O)CCN1CCCC(C)C1
InChIInChI=1S/C16H25NO/c1-13-6-5-10-17(12-13)11-9-16(18)15-8-4-3-7-14(15)2/h3-4,7-8,13,16,18H,5-6,9-12H2,1-2H3
InChIKeyNJELZIXYOQRCBC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.15
Rot. Bonds4

About 1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol

1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol (PubChem CID 62623454) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
PubChem CID62623454
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
SMILESCc1ccccc1C(O)CCN1CCCC(C)C1
InChIInChI=1S/C16H25NO/c1-13-6-5-10-17(12-13)11-9-16(18)15-8-4-3-7-14(15)2/h3-4,7-8,13,16,18H,5-6,9-12H2,1-2H3
InChIKeyNJELZIXYOQRCBC-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62623999
1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82074380
3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide
CID 86961985
1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 62622922
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 81212708
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 103539283
1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507
1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073524
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073686
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 102936466

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol (CID 62623454) is 1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol is Cc1ccccc1C(O)CCN1CCCC(C)C1.
What is the InChIKey of 1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is NJELZIXYOQRCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-6-5-10-17(12-13)11-9-16(18)15-8-4-3-7-14(15)2/h3-4,7-8,13,16,18H,5-6,9-12H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 62623454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).