4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine

C14H22ClN — CID 70262030

IUPAC4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine
SMILESCCCC1(C2=CC=C(Cl)CC2)CCNCC1
InChIInChI=1S/C14H22ClN/c1-2-7-14(8-10-16-11-9-14)12-3-5-13(15)6-4-12/h3,5,16H,2,4,6-11H2,1H3
InChIKeyBOIYGKCKCJNCJN-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.00
Rot. Bonds3

About 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine

4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine (PubChem CID 70262030) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine.

Molecular Properties

Compound Name4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine
PubChem CID70262030
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine
SMILESCCCC1(C2=CC=C(Cl)CC2)CCNCC1
InChIInChI=1S/C14H22ClN/c1-2-7-14(8-10-16-11-9-14)12-3-5-13(15)6-4-12/h3,5,16H,2,4,6-11H2,1H3
InChIKeyBOIYGKCKCJNCJN-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine?
The IUPAC name of 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine (CID 70262030) is 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine.
What is the SMILES notation for 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine?
The canonical SMILES for 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine is CCCC1(C2=CC=C(Cl)CC2)CCNCC1.
What is the InChIKey of 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine?
The InChIKey is BOIYGKCKCJNCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-2-7-14(8-10-16-11-9-14)12-3-5-13(15)6-4-12/h3,5,16H,2,4,6-11H2,1H3.
What are the key properties of 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine?
4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine has a molecular weight of 239.79 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorocyclohexa-1,3-dien-1-yl)-4-propylpiperidine is sourced from PubChem (CID 70262030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).