3-(2-cyclopropylethyl)piperidin-4-one

C10H17NO — CID 114451692

IUPAC3-(2-cyclopropylethyl)piperidin-4-one
SMILESO=C1CCNCC1CCC1CC1
InChIInChI=1S/C10H17NO/c12-10-5-6-11-7-9(10)4-3-8-1-2-8/h8-9,11H,1-7H2
InChIKeyHQBKXDBZOKJAGV-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.36
Rot. Bonds3

About 3-(2-cyclopropylethyl)piperidin-4-one

3-(2-cyclopropylethyl)piperidin-4-one (PubChem CID 114451692) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(2-cyclopropylethyl)piperidin-4-one.

Molecular Properties

Compound Name3-(2-cyclopropylethyl)piperidin-4-one
PubChem CID114451692
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(2-cyclopropylethyl)piperidin-4-one
SMILESO=C1CCNCC1CCC1CC1
InChIInChI=1S/C10H17NO/c12-10-5-6-11-7-9(10)4-3-8-1-2-8/h8-9,11H,1-7H2
InChIKeyHQBKXDBZOKJAGV-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(cyclopropylmethyl)piperidin-4-one
CID 96890245
3-but-3-ynylpiperidin-4-one
CID 114451562
3-(3-methoxy-3-methylbutyl)piperidin-4-one
CID 103034534
3-(hydroxymethyl)piperidin-4-one
CID 154392175
3-pent-4-ynylpiperidin-4-one
CID 114451722
3-(2-pyridin-4-ylethyl)piperidin-4-one
CID 83485514
3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one
CID 103135802
3-(2,3-dihydroxypropyl)piperidin-4-one
CID 114451721
3-[(4-tert-butylphenyl)methyl]piperidin-4-one
CID 82294879
3-[(3,5-difluorophenyl)methyl]piperidin-4-one
CID 105404516
3-cyclopropylpiperidin-4-one
CID 130812685
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethyl)piperidin-4-one?
The IUPAC name of 3-(2-cyclopropylethyl)piperidin-4-one (CID 114451692) is 3-(2-cyclopropylethyl)piperidin-4-one.
What is the SMILES notation for 3-(2-cyclopropylethyl)piperidin-4-one?
The canonical SMILES for 3-(2-cyclopropylethyl)piperidin-4-one is O=C1CCNCC1CCC1CC1.
What is the InChIKey of 3-(2-cyclopropylethyl)piperidin-4-one?
The InChIKey is HQBKXDBZOKJAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-10-5-6-11-7-9(10)4-3-8-1-2-8/h8-9,11H,1-7H2.
What are the key properties of 3-(2-cyclopropylethyl)piperidin-4-one?
3-(2-cyclopropylethyl)piperidin-4-one has a molecular weight of 167.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethyl)piperidin-4-one is sourced from PubChem (CID 114451692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).