(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone

C14H19NO2 — CID 115269824

IUPAC(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
SMILESCC1(C)CCN(C(=O)c2ccccc2)CC1O
InChIInChI=1S/C14H19NO2/c1-14(2)8-9-15(10-12(14)16)13(17)11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3
InChIKeyGNZOTMGUDLLJBO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.92
Rot. Bonds1

About (3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone

(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone (PubChem CID 115269824) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
PubChem CID115269824
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
SMILESCC1(C)CCN(C(=O)c2ccccc2)CC1O
InChIInChI=1S/C14H19NO2/c1-14(2)8-9-15(10-12(14)16)13(17)11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3
InChIKeyGNZOTMGUDLLJBO-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 115269834
(5-bromothiophen-2-yl)-(3-hydroxy-4,4-dimethylpiperidin-1-yl)methanone
CID 115276716
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
[(4R,5R)-4-hydroxy-2-methyl-1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
CID 118738514
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745
1-benzoyl-4-methylpiperidine-4-carbothioamide
CID 107160872
(3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone
CID 115269950
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone
CID 120809229
(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone
CID 115269961
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
1-benzoyl-3-ethylpiperidin-4-one
CID 114508143

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone?
The IUPAC name of (3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone (CID 115269824) is (3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone.
What is the SMILES notation for (3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone?
The canonical SMILES for (3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone is CC1(C)CCN(C(=O)c2ccccc2)CC1O.
What is the InChIKey of (3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone?
The InChIKey is GNZOTMGUDLLJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2)8-9-15(10-12(14)16)13(17)11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3.
What are the key properties of (3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone?
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone has a molecular weight of 233.31 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone is sourced from PubChem (CID 115269824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).