2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine

C12H24ClNO — CID 63386539

IUPAC2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCCN1CCCCC1CCCl
InChIInChI=1S/C12H24ClNO/c1-11(2)15-10-9-14-8-4-3-5-12(14)6-7-13/h11-12H,3-10H2,1-2H3
InChIKeyNXPNJDBGNZYRFO-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.89
Rot. Bonds6

About 2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine

2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine (PubChem CID 63386539) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine
PubChem CID63386539
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCCN1CCCCC1CCCl
InChIInChI=1S/C12H24ClNO/c1-11(2)15-10-9-14-8-4-3-5-12(14)6-7-13/h11-12H,3-10H2,1-2H3
InChIKeyNXPNJDBGNZYRFO-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.89
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

CID 12832480
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CID 63387210
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CID 65803109
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CID 15104447
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CID 19738024
CID 19738024
CID 19738025
CID 19738025
CID 19738027
CID 19738027
CID 19907056
CID 19907056
CID 20373484
CID 20373484
CID 21245730
CID 21245730
CID 23334081
CID 23334081
CID 58219835
CID 58219835

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine?
The IUPAC name of 2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine (CID 63386539) is 2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine?
The canonical SMILES for 2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine is CC(C)OCCN1CCCCC1CCCl.
What is the InChIKey of 2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine?
The InChIKey is NXPNJDBGNZYRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-11(2)15-10-9-14-8-4-3-5-12(14)6-7-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine?
2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine has a molecular weight of 233.78 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)piperidine is sourced from PubChem (CID 63386539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).