1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one

C14H22N2O2 — CID 115275807

IUPAC1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one
SMILESCC1(C)C(O)CCCN1C(=O)CCc1cc[nH]c1
InChIInChI=1S/C14H22N2O2/c1-14(2)12(17)4-3-9-16(14)13(18)6-5-11-7-8-15-10-11/h7-8,10,12,15,17H,3-6,9H2,1-2H3
InChIKeyIYBJZIAIKQVBKM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.71
Rot. Bonds3

About 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one

1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one (PubChem CID 115275807) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one
PubChem CID115275807
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one
SMILESCC1(C)C(O)CCCN1C(=O)CCc1cc[nH]c1
InChIInChI=1S/C14H22N2O2/c1-14(2)12(17)4-3-9-16(14)13(18)6-5-11-7-8-15-10-11/h7-8,10,12,15,17H,3-6,9H2,1-2H3
InChIKeyIYBJZIAIKQVBKM-UHFFFAOYSA-N
XLogP1.71
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 115275046
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one
CID 115276022
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115275806
1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one
CID 115270824
2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269211
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one
CID 115270787
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-4-pyridin-4-ylbutan-1-one
CID 115275087
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 115276218
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one
CID 112533196
1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid
CID 82486332
1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769174
2-(1H-pyrrol-3-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110815904

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one?
The IUPAC name of 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one (CID 115275807) is 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one is CC1(C)C(O)CCCN1C(=O)CCc1cc[nH]c1.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one?
The InChIKey is IYBJZIAIKQVBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2)12(17)4-3-9-16(14)13(18)6-5-11-7-8-15-10-11/h7-8,10,12,15,17H,3-6,9H2,1-2H3.
What are the key properties of 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one?
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one has a molecular weight of 250.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one is sourced from PubChem (CID 115275807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).