2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride

C14H24ClNOS — CID 71638047

IUPAC2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride
SMILESCC(OCCCC1CCCCN1)c1cccs1.Cl
InChIInChI=1S/C14H23NOS.ClH/c1-12(14-8-5-11-17-14)16-10-4-7-13-6-2-3-9-15-13;/h5,8,11-13,15H,2-4,6-7,9-10H2,1H3;1H
InChIKeyFFFOFSNDECZQQJ-UHFFFAOYSA-N
MW289.87 g/mol
LogP4.17
Rot. Bonds6

About 2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride

2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride (PubChem CID 71638047) has the molecular formula C14H24ClNOS and a molecular weight of 289.87 g/mol. Its IUPAC name is 2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride
PubChem CID71638047
Molecular FormulaC14H24ClNOS
Molecular Weight289.87 g/mol
Exact Mass289.13
IUPAC Name2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride
SMILESCC(OCCCC1CCCCN1)c1cccs1.Cl
InChIInChI=1S/C14H23NOS.ClH/c1-12(14-8-5-11-17-14)16-10-4-7-13-6-2-3-9-15-13;/h5,8,11-13,15H,2-4,6-7,9-10H2,1H3;1H
InChIKeyFFFOFSNDECZQQJ-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.87
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine
CID 97162429
2-[3-[1-(furan-2-yl)ethoxy]propyl]piperidine;hydrochloride
CID 71638045
(2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine
CID 97162570
2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine
CID 71638052
(2R)-2-(3-propan-2-yloxypropyl)pyrrolidine
CID 134397939
2-(2-thiophen-2-ylpropyl)pyrrolidine
CID 112715427
N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 71637827
(2S)-2-(3-methoxypropyl)piperidine
CID 40729361
tert-butyl 2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine-1-carboxylate
CID 71633719
2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine
CID 62480662
(2S)-2-(2-propan-2-yloxyethyl)piperidine
CID 28802472
N-ethyl-N-(piperidin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 106622507

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride?
The IUPAC name of 2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride (CID 71638047) is 2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride?
The canonical SMILES for 2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride is CC(OCCCC1CCCCN1)c1cccs1.Cl.
What is the InChIKey of 2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride?
The InChIKey is FFFOFSNDECZQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS.ClH/c1-12(14-8-5-11-17-14)16-10-4-7-13-6-2-3-9-15-13;/h5,8,11-13,15H,2-4,6-7,9-10H2,1H3;1H.
What are the key properties of 2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride?
2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride has a molecular weight of 289.87 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride is sourced from PubChem (CID 71638047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).