1-[3-(2-chlorophenoxy)propyl]piperidine

C14H20ClNO — CID 2058914

IUPAC1-[3-(2-chlorophenoxy)propyl]piperidine
SMILESClc1ccccc1OCCCN1CCCCC1
InChIInChI=1S/C14H20ClNO/c15-13-7-2-3-8-14(13)17-12-6-11-16-9-4-1-5-10-16/h2-3,7-8H,1,4-6,9-12H2
InChIKeyUWDFQAZBNQZLFH-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.59
Rot. Bonds5

About 1-[3-(2-chlorophenoxy)propyl]piperidine

1-[3-(2-chlorophenoxy)propyl]piperidine (PubChem CID 2058914) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)propyl]piperidine
PubChem CID2058914
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[3-(2-chlorophenoxy)propyl]piperidine
SMILESClc1ccccc1OCCCN1CCCCC1
InChIInChI=1S/C14H20ClNO/c15-13-7-2-3-8-14(13)17-12-6-11-16-9-4-1-5-10-16/h2-3,7-8H,1,4-6,9-12H2
InChIKeyUWDFQAZBNQZLFH-UHFFFAOYSA-N
XLogP3.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.59
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-[5-(2-chlorophenoxy)pentyl]pyrrolidine
CID 2059007
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 113276578
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
2-[3-(azepan-1-yl)propyl]-1-[4-(2-chlorophenoxy)butyl]benzimidazole
CID 18885679
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
[2-(3-piperidin-1-ylpropoxy)phenyl]methylidenehydrazine
CID 168530377
1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine
CID 100673269
1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 2215645
2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine
CID 31196285
N-[[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 114319064

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)propyl]piperidine?
The IUPAC name of 1-[3-(2-chlorophenoxy)propyl]piperidine (CID 2058914) is 1-[3-(2-chlorophenoxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)propyl]piperidine?
The canonical SMILES for 1-[3-(2-chlorophenoxy)propyl]piperidine is Clc1ccccc1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-(2-chlorophenoxy)propyl]piperidine?
The InChIKey is UWDFQAZBNQZLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-13-7-2-3-8-14(13)17-12-6-11-16-9-4-1-5-10-16/h2-3,7-8H,1,4-6,9-12H2.
What are the key properties of 1-[3-(2-chlorophenoxy)propyl]piperidine?
1-[3-(2-chlorophenoxy)propyl]piperidine has a molecular weight of 253.77 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenoxy)propyl]piperidine is sourced from PubChem (CID 2058914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).