3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol

C16H25NO — CID 22770544

IUPAC3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
SMILESCC1CCN(CCC(O)c2ccccc2)CC1C
InChIInChI=1S/C16H25NO/c1-13-8-10-17(12-14(13)2)11-9-16(18)15-6-4-3-5-7-15/h3-7,13-14,16,18H,8-12H2,1-2H3
InChIKeyBIQBGVMIMZZELY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.09
Rot. Bonds4

About 3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol

3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol (PubChem CID 22770544) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
PubChem CID22770544
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
SMILESCC1CCN(CCC(O)c2ccccc2)CC1C
InChIInChI=1S/C16H25NO/c1-13-8-10-17(12-14(13)2)11-9-16(18)15-6-4-3-5-7-15/h3-7,13-14,16,18H,8-12H2,1-2H3
InChIKeyBIQBGVMIMZZELY-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
CID 55094317
3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
CID 62612441
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612776
(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
CID 112742222
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 115562031
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol
CID 114682090
1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol
CID 79184405
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 55131757
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol?
The IUPAC name of 3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol (CID 22770544) is 3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol is CC1CCN(CCC(O)c2ccccc2)CC1C.
What is the InChIKey of 3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol?
The InChIKey is BIQBGVMIMZZELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-8-10-17(12-14(13)2)11-9-16(18)15-6-4-3-5-7-15/h3-7,13-14,16,18H,8-12H2,1-2H3.
What are the key properties of 3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol?
3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 22770544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).