1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine

C20H21ClN2 — CID 13014692

IUPAC1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine
SMILESCN1CCN(C2=Cc3ccccc3Cc3ccc(Cl)cc32)CC1
InChIInChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-13-16-5-3-2-4-15(16)12-17-6-7-18(21)14-19(17)20/h2-7,13-14H,8-12H2,1H3
InChIKeySFRWZRKAHVGRFO-UHFFFAOYSA-N
MW324.86 g/mol
LogP3.99
Rot. Bonds1

About 1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine

1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine (PubChem CID 13014692) has the molecular formula C20H21ClN2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine
PubChem CID13014692
Molecular FormulaC20H21ClN2
Molecular Weight324.86 g/mol
Exact Mass324.14
IUPAC Name1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine
SMILESCN1CCN(C2=Cc3ccccc3Cc3ccc(Cl)cc32)CC1
InChIInChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-13-16-5-3-2-4-15(16)12-17-6-7-18(21)14-19(17)20/h2-7,13-14H,8-12H2,1H3
InChIKeySFRWZRKAHVGRFO-UHFFFAOYSA-N
XLogP3.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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Homochlorcyclizine
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Chlorcyclizine Hydrochloride
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CID 9340
Zicronapine
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Meclozine Dihydrochloride
CID 64713
Meclizine Monohydrochloride
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Homochlorcyclizine dihydrochloride
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1-((4-Chlorophenyl)(phenyl)methyl)-4-methyl-1,4-diazepane--hydrogen chloride (1/1)
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Norchlorcyclizine, (-)-
CID 668697

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine?
The IUPAC name of 1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine (CID 13014692) is 1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine?
The canonical SMILES for 1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine is CN1CCN(C2=Cc3ccccc3Cc3ccc(Cl)cc32)CC1.
What is the InChIKey of 1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine?
The InChIKey is SFRWZRKAHVGRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2/c1-22-8-10-23(11-9-22)20-13-16-5-3-2-4-15(16)12-17-6-7-18(21)14-19(17)20/h2-7,13-14H,8-12H2,1H3.
What are the key properties of 1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine?
1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine has a molecular weight of 324.86 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4-methylpiperazine is sourced from PubChem (CID 13014692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).