2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol

C16H25NO — CID 55055369

IUPAC2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol
SMILESCC1CCCN(CC(C)(CO)c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-14-7-6-10-17(11-14)12-16(2,13-18)15-8-4-3-5-9-15/h3-5,8-9,14,18H,6-7,10-13H2,1-2H3
InChIKeySBWTWQGCKNVYBH-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.67
Rot. Bonds4

About 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol

2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol (PubChem CID 55055369) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol
PubChem CID55055369
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol
SMILESCC1CCCN(CC(C)(CO)c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-14-7-6-10-17(11-14)12-16(2,13-18)15-8-4-3-5-9-15/h3-5,8-9,14,18H,6-7,10-13H2,1-2H3
InChIKeySBWTWQGCKNVYBH-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-ol
CID 102967569
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid
CID 62271359
2-methyl-3-(2-methylmorpholin-4-yl)-2-phenylpropan-1-ol
CID 62271259
2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol
CID 116695061
2-amino-2-methyl-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 64798655
2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol
CID 62271685
1-benzyl-3-methylpiperidine
CID 2794856
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824
1-(3-amino-2-methyl-2-phenylpropyl)pyrrolidin-3-ol
CID 55131558
N-ethyl-3-(3-ethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62258575
N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 115754110
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol?
The IUPAC name of 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol (CID 55055369) is 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol is CC1CCCN(CC(C)(CO)c2ccccc2)C1.
What is the InChIKey of 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol?
The InChIKey is SBWTWQGCKNVYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14-7-6-10-17(11-14)12-16(2,13-18)15-8-4-3-5-9-15/h3-5,8-9,14,18H,6-7,10-13H2,1-2H3.
What are the key properties of 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol?
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 55055369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).