1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine

C13H23ClN2 — CID 123793147

IUPAC1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine
SMILESC=C1CC(Cl)CCC1CN1CCN(C)CC1
InChIInChI=1S/C13H23ClN2/c1-11-9-13(14)4-3-12(11)10-16-7-5-15(2)6-8-16/h12-13H,1,3-10H2,2H3
InChIKeyACOLIRBSMNUVSK-UHFFFAOYSA-N
MW242.79 g/mol
LogP2.20
Rot. Bonds2

About 1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine

1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine (PubChem CID 123793147) has the molecular formula C13H23ClN2 and a molecular weight of 242.79 g/mol. Its IUPAC name is 1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine
PubChem CID123793147
Molecular FormulaC13H23ClN2
Molecular Weight242.79 g/mol
Exact Mass242.15
IUPAC Name1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine
SMILESC=C1CC(Cl)CCC1CN1CCN(C)CC1
InChIInChI=1S/C13H23ClN2/c1-11-9-13(14)4-3-12(11)10-16-7-5-15(2)6-8-16/h12-13H,1,3-10H2,2H3
InChIKeyACOLIRBSMNUVSK-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.79
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 62615095
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one
CID 79865698
1-[(2,2-dichlorocyclopropyl)methyl]-4-methylpiperazine
CID 131041769
CID 59102100
CID 59102100
4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-one
CID 62612022
[(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol
CID 141428112
2-[(4-methylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612346
1-methyl-4-[(4-propylcyclohexyl)methyl]piperazine
CID 91446978
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine
CID 161491194
7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 82624967

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine (CID 123793147) is 1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine is C=C1CC(Cl)CCC1CN1CCN(C)CC1.
What is the InChIKey of 1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine?
The InChIKey is ACOLIRBSMNUVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN2/c1-11-9-13(14)4-3-12(11)10-16-7-5-15(2)6-8-16/h12-13H,1,3-10H2,2H3.
What are the key properties of 1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine?
1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine has a molecular weight of 242.79 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-methylidenecyclohexyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 123793147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).