(3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C13H23NO2 — CID 123596503

IUPAC(3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CC(O)C2)CC1
InChIInChI=1S/C13H23NO2/c1-9(2)10-3-5-14(6-4-10)13(16)11-7-12(15)8-11/h9-12,15H,3-8H2,1-2H3
InChIKeyDTTXNGCWFVXUMQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.65
Rot. Bonds2

About (3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 123596503) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID123596503
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CC(O)C2)CC1
InChIInChI=1S/C13H23NO2/c1-9(2)10-3-5-14(6-4-10)13(16)11-7-12(15)8-11/h9-12,15H,3-8H2,1-2H3
InChIKeyDTTXNGCWFVXUMQ-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 123596503) is (3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2CC(O)C2)CC1.
What is the InChIKey of (3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is DTTXNGCWFVXUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(2)10-3-5-14(6-4-10)13(16)11-7-12(15)8-11/h9-12,15H,3-8H2,1-2H3.
What are the key properties of (3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 225.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 123596503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).