2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine

C14H22ClNS — CID 63386907

IUPAC2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine
SMILESCCc1ccc(CN2CCCCC2CCCl)s1
InChIInChI=1S/C14H22ClNS/c1-2-13-6-7-14(17-13)11-16-10-4-3-5-12(16)8-9-15/h6-7,12H,2-5,8-11H2,1H3
InChIKeyHDYVNGUHQJGIPL-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.29
Rot. Bonds5

About 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine

2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine (PubChem CID 63386907) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine
PubChem CID63386907
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine
SMILESCCc1ccc(CN2CCCCC2CCCl)s1
InChIInChI=1S/C14H22ClNS/c1-2-13-6-7-14(17-13)11-16-10-4-3-5-12(16)8-9-15/h6-7,12H,2-5,8-11H2,1H3
InChIKeyHDYVNGUHQJGIPL-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine (CID 63386907) is 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine is CCc1ccc(CN2CCCCC2CCCl)s1.
What is the InChIKey of 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine?
The InChIKey is HDYVNGUHQJGIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-2-13-6-7-14(17-13)11-16-10-4-3-5-12(16)8-9-15/h6-7,12H,2-5,8-11H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine?
2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine has a molecular weight of 271.86 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 63386907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).