1-(cyclopropylmethyl)piperidin-4-one

C9H15NO — CID 18002181

IUPAC1-(cyclopropylmethyl)piperidin-4-one
SMILESO=C1CCN(CC2CC2)CC1
InChIInChI=1S/C9H15NO/c11-9-3-5-10(6-4-9)7-8-1-2-8/h8H,1-7H2
InChIKeyWEGGUCATBXAQDP-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.06
Rot. Bonds2

About 1-(cyclopropylmethyl)piperidin-4-one

1-(cyclopropylmethyl)piperidin-4-one (PubChem CID 18002181) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)piperidin-4-one
PubChem CID18002181
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(cyclopropylmethyl)piperidin-4-one
SMILESO=C1CCN(CC2CC2)CC1
InChIInChI=1S/C9H15NO/c11-9-3-5-10(6-4-9)7-8-1-2-8/h8H,1-7H2
InChIKeyWEGGUCATBXAQDP-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)piperidin-4-one?
The IUPAC name of 1-(cyclopropylmethyl)piperidin-4-one (CID 18002181) is 1-(cyclopropylmethyl)piperidin-4-one.
What is the SMILES notation for 1-(cyclopropylmethyl)piperidin-4-one?
The canonical SMILES for 1-(cyclopropylmethyl)piperidin-4-one is O=C1CCN(CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)piperidin-4-one?
The InChIKey is WEGGUCATBXAQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-9-3-5-10(6-4-9)7-8-1-2-8/h8H,1-7H2.
What are the key properties of 1-(cyclopropylmethyl)piperidin-4-one?
1-(cyclopropylmethyl)piperidin-4-one has a molecular weight of 153.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)piperidin-4-one is sourced from PubChem (CID 18002181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).