1-[2-(2-octylphenoxy)ethyl]piperidine chloride

C21H35ClNO- — CID 21228798

IUPAC1-[2-(2-octylphenoxy)ethyl]piperidine chloride
SMILESCCCCCCCCc1ccccc1OCCN1CCCCC1.[Cl-]
InChIInChI=1S/C21H35NO.ClH/c1-2-3-4-5-6-8-13-20-14-9-10-15-21(20)23-19-18-22-16-11-7-12-17-22;/h9-10,14-15H,2-8,11-13,16-19H2,1H3;1H/p-1
InChIKeyHZEWEAANTJHHBY-UHFFFAOYSA-M
MW352.97 g/mol
LogP2.46
Rot. Bonds11

About 1-[2-(2-octylphenoxy)ethyl]piperidine chloride

1-[2-(2-octylphenoxy)ethyl]piperidine chloride (PubChem CID 21228798) has the molecular formula C21H35ClNO- and a molecular weight of 352.97 g/mol. Its IUPAC name is 1-[2-(2-octylphenoxy)ethyl]piperidine chloride.

Molecular Properties

Compound Name1-[2-(2-octylphenoxy)ethyl]piperidine chloride
PubChem CID21228798
Molecular FormulaC21H35ClNO-
Molecular Weight352.97 g/mol
Exact Mass352.24
IUPAC Name1-[2-(2-octylphenoxy)ethyl]piperidine chloride
SMILESCCCCCCCCc1ccccc1OCCN1CCCCC1.[Cl-]
InChIInChI=1S/C21H35NO.ClH/c1-2-3-4-5-6-8-13-20-14-9-10-15-21(20)23-19-18-22-16-11-7-12-17-22;/h9-10,14-15H,2-8,11-13,16-19H2,1H3;1H/p-1
InChIKeyHZEWEAANTJHHBY-UHFFFAOYSA-M
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.97
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 170866493
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 107713118
1-butyl-2-nonoxybenzene
CID 118255282
1-[2-(2-ethoxyphenyl)ethyl]piperidine
CID 21117435
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
2-(2-dodecylphenoxy)ethanol
CID 14475097

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-octylphenoxy)ethyl]piperidine chloride?
The IUPAC name of 1-[2-(2-octylphenoxy)ethyl]piperidine chloride (CID 21228798) is 1-[2-(2-octylphenoxy)ethyl]piperidine chloride.
What is the SMILES notation for 1-[2-(2-octylphenoxy)ethyl]piperidine chloride?
The canonical SMILES for 1-[2-(2-octylphenoxy)ethyl]piperidine chloride is CCCCCCCCc1ccccc1OCCN1CCCCC1.[Cl-].
What is the InChIKey of 1-[2-(2-octylphenoxy)ethyl]piperidine chloride?
The InChIKey is HZEWEAANTJHHBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H35NO.ClH/c1-2-3-4-5-6-8-13-20-14-9-10-15-21(20)23-19-18-22-16-11-7-12-17-22;/h9-10,14-15H,2-8,11-13,16-19H2,1H3;1H/p-1.
What are the key properties of 1-[2-(2-octylphenoxy)ethyl]piperidine chloride?
1-[2-(2-octylphenoxy)ethyl]piperidine chloride has a molecular weight of 352.97 g/mol, XLogP of 2.46, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-octylphenoxy)ethyl]piperidine chloride is sourced from PubChem (CID 21228798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).