(3R)-3-(cyclopropylmethyl)piperidin-4-one

C9H15NO — CID 96890245

IUPAC(3R)-3-(cyclopropylmethyl)piperidin-4-one
SMILESO=C1CCNC[C@H]1CC1CC1
InChIInChI=1S/C9H15NO/c11-9-3-4-10-6-8(9)5-7-1-2-7/h7-8,10H,1-6H2/t8-/m1/s1
InChIKeyYZYUPDOJXCDGBS-MRVPVSSYSA-N
MW153.22 g/mol
LogP0.97
Rot. Bonds2

About (3R)-3-(cyclopropylmethyl)piperidin-4-one

(3R)-3-(cyclopropylmethyl)piperidin-4-one (PubChem CID 96890245) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3R)-3-(cyclopropylmethyl)piperidin-4-one.

Molecular Properties

Compound Name(3R)-3-(cyclopropylmethyl)piperidin-4-one
PubChem CID96890245
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3R)-3-(cyclopropylmethyl)piperidin-4-one
SMILESO=C1CCNC[C@H]1CC1CC1
InChIInChI=1S/C9H15NO/c11-9-3-4-10-6-8(9)5-7-1-2-7/h7-8,10H,1-6H2/t8-/m1/s1
InChIKeyYZYUPDOJXCDGBS-MRVPVSSYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclopropylmethyl)piperidin-4-one?
The IUPAC name of (3R)-3-(cyclopropylmethyl)piperidin-4-one (CID 96890245) is (3R)-3-(cyclopropylmethyl)piperidin-4-one.
What is the SMILES notation for (3R)-3-(cyclopropylmethyl)piperidin-4-one?
The canonical SMILES for (3R)-3-(cyclopropylmethyl)piperidin-4-one is O=C1CCNC[C@H]1CC1CC1.
What is the InChIKey of (3R)-3-(cyclopropylmethyl)piperidin-4-one?
The InChIKey is YZYUPDOJXCDGBS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO/c11-9-3-4-10-6-8(9)5-7-1-2-7/h7-8,10H,1-6H2/t8-/m1/s1.
What are the key properties of (3R)-3-(cyclopropylmethyl)piperidin-4-one?
(3R)-3-(cyclopropylmethyl)piperidin-4-one has a molecular weight of 153.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclopropylmethyl)piperidin-4-one is sourced from PubChem (CID 96890245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).