1-(4,4-dimethylpiperidin-1-yl)propan-2-one

C10H19NO — CID 62932108

IUPAC1-(4,4-dimethylpiperidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC(C)(C)CC1
InChIInChI=1S/C10H19NO/c1-9(12)8-11-6-4-10(2,3)5-7-11/h4-8H2,1-3H3
InChIKeyUCCBVOAKCXFBKK-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds2

About 1-(4,4-dimethylpiperidin-1-yl)propan-2-one

1-(4,4-dimethylpiperidin-1-yl)propan-2-one (PubChem CID 62932108) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)propan-2-one
PubChem CID62932108
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC(C)(C)CC1
InChIInChI=1S/C10H19NO/c1-9(12)8-11-6-4-10(2,3)5-7-11/h4-8H2,1-3H3
InChIKeyUCCBVOAKCXFBKK-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4,4-dimethylpiperidin-1-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Piperidin-1-yl)propan-2-one hydrochloride
CID 67491961
1-Piperidinoacetone
CID 81243
4,4-Dimethyl-1-(piperidin-1-yl)pentan-3-one
CID 915111
4-(3,3-Dimethylpiperidin-1-yl)butan-2-one
CID 64063300
1-(1-Piperidinyl)-2-butanone
CID 12749133
1-(4-Tert-butyl-3-fluoropiperidin-1-yl)propan-2-one
CID 58391468
1-(3-Fluoro-3,9-diazaspiro[5.5]undecan-9-yl)propan-2-one
CID 156886373
1-(4,4-Difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 164657371
1-[4-Propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]propan-2-one
CID 170394783
Pinacolylpiperidine hydrobromide
CID 3027753
3,3-Dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-one
CID 65536338
1-(3,3-Difluoropiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 164657439

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)propan-2-one?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)propan-2-one (CID 62932108) is 1-(4,4-dimethylpiperidin-1-yl)propan-2-one.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)propan-2-one?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)propan-2-one is CC(=O)CN1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)propan-2-one?
The InChIKey is UCCBVOAKCXFBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(12)8-11-6-4-10(2,3)5-7-11/h4-8H2,1-3H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)propan-2-one?
1-(4,4-dimethylpiperidin-1-yl)propan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)propan-2-one is sourced from PubChem (CID 62932108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).