1-[5-(4-chlorophenoxy)pentyl]piperidine

C16H24ClNO — CID 2843471

IUPAC1-[5-(4-chlorophenoxy)pentyl]piperidine
SMILESClc1ccc(OCCCCCN2CCCCC2)cc1
InChIInChI=1S/C16H24ClNO/c17-15-7-9-16(10-8-15)19-14-6-2-5-13-18-11-3-1-4-12-18/h7-10H,1-6,11-14H2
InChIKeyCISLNJILBFCUJI-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.38
Rot. Bonds7

About 1-[5-(4-chlorophenoxy)pentyl]piperidine

1-[5-(4-chlorophenoxy)pentyl]piperidine (PubChem CID 2843471) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[5-(4-chlorophenoxy)pentyl]piperidine.

Molecular Properties

Compound Name1-[5-(4-chlorophenoxy)pentyl]piperidine
PubChem CID2843471
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[5-(4-chlorophenoxy)pentyl]piperidine
SMILESClc1ccc(OCCCCCN2CCCCC2)cc1
InChIInChI=1S/C16H24ClNO/c17-15-7-9-16(10-8-15)19-14-6-2-5-13-18-11-3-1-4-12-18/h7-10H,1-6,11-14H2
InChIKeyCISLNJILBFCUJI-UHFFFAOYSA-N
XLogP4.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.38
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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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenoxy)pentyl]piperidine?
The IUPAC name of 1-[5-(4-chlorophenoxy)pentyl]piperidine (CID 2843471) is 1-[5-(4-chlorophenoxy)pentyl]piperidine.
What is the SMILES notation for 1-[5-(4-chlorophenoxy)pentyl]piperidine?
The canonical SMILES for 1-[5-(4-chlorophenoxy)pentyl]piperidine is Clc1ccc(OCCCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[5-(4-chlorophenoxy)pentyl]piperidine?
The InChIKey is CISLNJILBFCUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c17-15-7-9-16(10-8-15)19-14-6-2-5-13-18-11-3-1-4-12-18/h7-10H,1-6,11-14H2.
What are the key properties of 1-[5-(4-chlorophenoxy)pentyl]piperidine?
1-[5-(4-chlorophenoxy)pentyl]piperidine has a molecular weight of 281.83 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenoxy)pentyl]piperidine is sourced from PubChem (CID 2843471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).