4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine

C12H22ClNO — CID 82701207

IUPAC4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine
SMILESClCCOC1CCN(CCC2CC2)CC1
InChIInChI=1S/C12H22ClNO/c13-6-10-15-12-4-8-14(9-5-12)7-3-11-1-2-11/h11-12H,1-10H2
InChIKeyXBXDIDXJYVDGJO-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.51
Rot. Bonds6

About 4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine

4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine (PubChem CID 82701207) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine.

Molecular Properties

Compound Name4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine
PubChem CID82701207
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine
SMILESClCCOC1CCN(CCC2CC2)CC1
InChIInChI=1S/C12H22ClNO/c13-6-10-15-12-4-8-14(9-5-12)7-3-11-1-2-11/h11-12H,1-10H2
InChIKeyXBXDIDXJYVDGJO-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine 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 4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine?
The IUPAC name of 4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine (CID 82701207) is 4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine.
What is the SMILES notation for 4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine?
The canonical SMILES for 4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine is ClCCOC1CCN(CCC2CC2)CC1.
What is the InChIKey of 4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine?
The InChIKey is XBXDIDXJYVDGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c13-6-10-15-12-4-8-14(9-5-12)7-3-11-1-2-11/h11-12H,1-10H2.
What are the key properties of 4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine?
4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine has a molecular weight of 231.77 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-1-(2-cyclopropylethyl)piperidine is sourced from PubChem (CID 82701207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).