1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol

C16H25NO — CID 62931095

IUPAC1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
SMILESCC1(C)CCN(CC(C)(O)c2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-15(2)9-11-17(12-10-15)13-16(3,18)14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3
InChIKeyVHVRAHHZOBPAGF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.02
Rot. Bonds3

About 1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol

1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol (PubChem CID 62931095) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
PubChem CID62931095
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
SMILESCC1(C)CCN(CC(C)(O)c2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-15(2)9-11-17(12-10-15)13-16(3,18)14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3
InChIKeyVHVRAHHZOBPAGF-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylpropan-2-ol
CID 107271988
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol
CID 78989187
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol
CID 62373658
2-phenyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-ol
CID 102745135
1-(2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 62373973
3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 65282057
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol
CID 63847704
2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 112698258
2-[1-(2-hydroxy-2-phenylpropyl)azetidin-3-yl]acetic acid
CID 64617912
(2R)-N-cyclopropyl-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-phenylpropyl]piperidin-4-yl]acetamide
CID 129489619
1-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-phenylpropan-2-ol
CID 102682067
1-(2,2-difluoro-2-phenylethyl)-4-methylpiperidine-4-carbothioamide
CID 107161472

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol (CID 62931095) is 1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol is CC1(C)CCN(CC(C)(O)c2ccccc2)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol?
The InChIKey is VHVRAHHZOBPAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2)9-11-17(12-10-15)13-16(3,18)14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol?
1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 62931095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).