4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine

C12H17ClN2O — CID 88582793

IUPAC4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine
SMILESO=NCC1(C2=CC=C(Cl)CC2)CCNCC1
InChIInChI=1S/C12H17ClN2O/c13-11-3-1-10(2-4-11)12(9-15-16)5-7-14-8-6-12/h1,3,14H,2,4-9H2
InChIKeyTXNPAHYODFASRQ-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.97
Rot. Bonds3

About 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine

4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine (PubChem CID 88582793) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine.

Molecular Properties

Compound Name4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine
PubChem CID88582793
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine
SMILESO=NCC1(C2=CC=C(Cl)CC2)CCNCC1
InChIInChI=1S/C12H17ClN2O/c13-11-3-1-10(2-4-11)12(9-15-16)5-7-14-8-6-12/h1,3,14H,2,4-9H2
InChIKeyTXNPAHYODFASRQ-UHFFFAOYSA-N
XLogP2.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine?
The IUPAC name of 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine (CID 88582793) is 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine.
What is the SMILES notation for 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine?
The canonical SMILES for 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine is O=NCC1(C2=CC=C(Cl)CC2)CCNCC1.
What is the InChIKey of 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine?
The InChIKey is TXNPAHYODFASRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-3-1-10(2-4-11)12(9-15-16)5-7-14-8-6-12/h1,3,14H,2,4-9H2.
What are the key properties of 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine?
4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine has a molecular weight of 240.73 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-(nitrosomethyl)piperidine is sourced from PubChem (CID 88582793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).