1-(4-methylpiperidin-4-yl)pentan-1-one

C11H21NO — CID 116567515

IUPAC1-(4-methylpiperidin-4-yl)pentan-1-one
SMILESCCCCC(=O)C1(C)CCNCC1
InChIInChI=1S/C11H21NO/c1-3-4-5-10(13)11(2)6-8-12-9-7-11/h12H,3-9H2,1-2H3
InChIKeyDQISQHWDTQNNPV-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-methylpiperidin-4-yl)pentan-1-one

1-(4-methylpiperidin-4-yl)pentan-1-one (PubChem CID 116567515) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(4-methylpiperidin-4-yl)pentan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-4-yl)pentan-1-one
PubChem CID116567515
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(4-methylpiperidin-4-yl)pentan-1-one
SMILESCCCCC(=O)C1(C)CCNCC1
InChIInChI=1S/C11H21NO/c1-3-4-5-10(13)11(2)6-8-12-9-7-11/h12H,3-9H2,1-2H3
InChIKeyDQISQHWDTQNNPV-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Ditertiarybutylpiperidine-4-one
CID 59253684
1-Piperidin-4-Ylbutan-1-One
CID 17781806
8-Azaspiro[4.5]decan-1-one hydrochloride
CID 18403965
3-Azaspiro[5.5]undecan-9-one hydrochloride
CID 67315842
3-Azaspiro[5.5]undecan-8-one
CID 59929925
3,3-Dimethyl-1-(piperidin-2-yl)butan-2-one
CID 67991373
2,6-Ditert-butyl-3-methylpiperidin-4-one
CID 76311861
8-Azaspiro[4.5]decan-1-one
CID 9877432
3-Azaspiro[5.5]undecan-9-one
CID 59047399
1-(4-Fluoropiperidin-4-yl)hexan-1-one
CID 66633547
6-Azaspiro[3.5]nonan-9-one
CID 82418334
1-[4-(3-Fluoropropyl)piperidin-4-yl]ethanone
CID 145418526

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-4-yl)pentan-1-one?
The IUPAC name of 1-(4-methylpiperidin-4-yl)pentan-1-one (CID 116567515) is 1-(4-methylpiperidin-4-yl)pentan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-4-yl)pentan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-4-yl)pentan-1-one is CCCCC(=O)C1(C)CCNCC1.
What is the InChIKey of 1-(4-methylpiperidin-4-yl)pentan-1-one?
The InChIKey is DQISQHWDTQNNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-10(13)11(2)6-8-12-9-7-11/h12H,3-9H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-4-yl)pentan-1-one?
1-(4-methylpiperidin-4-yl)pentan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-4-yl)pentan-1-one is sourced from PubChem (CID 116567515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).