4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine

C15H20ClNO — CID 65445385

IUPAC4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
SMILESClC1CCN(CCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C15H20ClNO/c16-14-4-8-17(9-5-14)7-3-12-1-2-15-13(11-12)6-10-18-15/h1-2,11,14H,3-10H2
InChIKeyMXFYCXFUYICYCN-UHFFFAOYSA-N
MW265.78 g/mol
LogP2.87
Rot. Bonds3

About 4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine

4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine (PubChem CID 65445385) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
PubChem CID65445385
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
SMILESClC1CCN(CCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C15H20ClNO/c16-14-4-8-17(9-5-14)7-3-12-1-2-15-13(11-12)6-10-18-15/h1-2,11,14H,3-10H2
InChIKeyMXFYCXFUYICYCN-UHFFFAOYSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
CID 154807715
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
4-(1-bromoethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 106838375
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpyrrolidine
CID 173048470
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 115665607
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]-phenylmethanol
CID 111487291
tert-butyl N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]carbamate
CID 71987002
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azepan-4-yl]-2,2-diphenylacetamide
CID 142809097
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915626
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]acetamide
CID 171130329
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892101

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine?
The IUPAC name of 4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine (CID 65445385) is 4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine.
What is the SMILES notation for 4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine?
The canonical SMILES for 4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine is ClC1CCN(CCc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine?
The InChIKey is MXFYCXFUYICYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-14-4-8-17(9-5-14)7-3-12-1-2-15-13(11-12)6-10-18-15/h1-2,11,14H,3-10H2.
What are the key properties of 4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine?
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine has a molecular weight of 265.78 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine is sourced from PubChem (CID 65445385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).