1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine

C14H27ClN2O — CID 63666891

IUPAC1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine
SMILESClCCOCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C14H27ClN2O/c15-5-11-18-12-10-16-8-3-14(4-9-16)13-17-6-1-2-7-17/h14H,1-13H2
InChIKeyJONRIOSGALLUAZ-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.05
Rot. Bonds7

About 1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine

1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 63666891) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID63666891
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine
SMILESClCCOCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C14H27ClN2O/c15-5-11-18-12-10-16-8-3-14(4-9-16)13-17-6-1-2-7-17/h14H,1-13H2
InChIKeyJONRIOSGALLUAZ-UHFFFAOYSA-N
XLogP2.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine (CID 63666891) is 1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine is ClCCOCCN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is JONRIOSGALLUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN2O/c15-5-11-18-12-10-16-8-3-14(4-9-16)13-17-6-1-2-7-17/h14H,1-13H2.
What are the key properties of 1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine?
1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine has a molecular weight of 274.84 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 63666891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).