[4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite

C15H22ClNO — CID 71063785

IUPAC[4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite
SMILESClOCc1ccc(CCCN2CCCCC2)cc1
InChIInChI=1S/C15H22ClNO/c16-18-13-15-8-6-14(7-9-15)5-4-12-17-10-2-1-3-11-17/h6-9H,1-5,10-13H2
InChIKeyMRVOSQYHPDRBFB-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.78
Rot. Bonds6

About [4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite

[4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite (PubChem CID 71063785) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite.

Molecular Properties

Compound Name[4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite
PubChem CID71063785
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite
SMILESClOCc1ccc(CCCN2CCCCC2)cc1
InChIInChI=1S/C15H22ClNO/c16-18-13-15-8-6-14(7-9-15)5-4-12-17-10-2-1-3-11-17/h6-9H,1-5,10-13H2
InChIKeyMRVOSQYHPDRBFB-UHFFFAOYSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite?
The IUPAC name of [4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite (CID 71063785) is [4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite.
What is the SMILES notation for [4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite?
The canonical SMILES for [4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite is ClOCc1ccc(CCCN2CCCCC2)cc1.
What is the InChIKey of [4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite?
The InChIKey is MRVOSQYHPDRBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-18-13-15-8-6-14(7-9-15)5-4-12-17-10-2-1-3-11-17/h6-9H,1-5,10-13H2.
What are the key properties of [4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite?
[4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite has a molecular weight of 267.80 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-piperidin-1-ylpropyl)phenyl]methyl hypochlorite is sourced from PubChem (CID 71063785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).