1-[10-(4-chlorophenoxy)decyl]piperidine

C21H34ClNO — CID 70510591

IUPAC1-[10-(4-chlorophenoxy)decyl]piperidine
SMILESClc1ccc(OCCCCCCCCCCN2CCCCC2)cc1
InChIInChI=1S/C21H34ClNO/c22-20-12-14-21(15-13-20)24-19-11-6-4-2-1-3-5-8-16-23-17-9-7-10-18-23/h12-15H,1-11,16-19H2
InChIKeyUCFFBDVIMMJNHJ-UHFFFAOYSA-N
MW351.96 g/mol
LogP6.33
Rot. Bonds12

About 1-[10-(4-chlorophenoxy)decyl]piperidine

1-[10-(4-chlorophenoxy)decyl]piperidine (PubChem CID 70510591) has the molecular formula C21H34ClNO and a molecular weight of 351.96 g/mol. Its IUPAC name is 1-[10-(4-chlorophenoxy)decyl]piperidine.

Molecular Properties

Compound Name1-[10-(4-chlorophenoxy)decyl]piperidine
PubChem CID70510591
Molecular FormulaC21H34ClNO
Molecular Weight351.96 g/mol
Exact Mass351.23
IUPAC Name1-[10-(4-chlorophenoxy)decyl]piperidine
SMILESClc1ccc(OCCCCCCCCCCN2CCCCC2)cc1
InChIInChI=1S/C21H34ClNO/c22-20-12-14-21(15-13-20)24-19-11-6-4-2-1-3-5-8-16-23-17-9-7-10-18-23/h12-15H,1-11,16-19H2
InChIKeyUCFFBDVIMMJNHJ-UHFFFAOYSA-N
XLogP6.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.96
LogP ≤ 56.33
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-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[4-(4-iodophenoxy)butyl]pyrrolidine
CID 2232625
2-[4-[5-[4-(4-chlorophenoxy)phenoxy]pentyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 24994317
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid
CID 146051025
[(1S,4S)-5-(4-chlorobenzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10345141
1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine
CID 54061741

Frequently Asked Questions

What is the IUPAC name of 1-[10-(4-chlorophenoxy)decyl]piperidine?
The IUPAC name of 1-[10-(4-chlorophenoxy)decyl]piperidine (CID 70510591) is 1-[10-(4-chlorophenoxy)decyl]piperidine.
What is the SMILES notation for 1-[10-(4-chlorophenoxy)decyl]piperidine?
The canonical SMILES for 1-[10-(4-chlorophenoxy)decyl]piperidine is Clc1ccc(OCCCCCCCCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[10-(4-chlorophenoxy)decyl]piperidine?
The InChIKey is UCFFBDVIMMJNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34ClNO/c22-20-12-14-21(15-13-20)24-19-11-6-4-2-1-3-5-8-16-23-17-9-7-10-18-23/h12-15H,1-11,16-19H2.
What are the key properties of 1-[10-(4-chlorophenoxy)decyl]piperidine?
1-[10-(4-chlorophenoxy)decyl]piperidine has a molecular weight of 351.96 g/mol, XLogP of 6.33, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(4-chlorophenoxy)decyl]piperidine is sourced from PubChem (CID 70510591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).