iodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine

C22H31IN2 — CID 21153432

IUPACiodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine
SMILESCI.CN1CCN(C2(c3cccc4ccccc34)CCCCC2)CC1
InChIInChI=1S/C21H28N2.CH3I/c1-22-14-16-23(17-15-22)21(12-5-2-6-13-21)20-11-7-9-18-8-3-4-10-19(18)20;1-2/h3-4,7-11H,2,5-6,12-17H2,1H3;1H3
InChIKeyZIZVBRNCVKIXMQ-UHFFFAOYSA-N
MW450.41 g/mol
LogP5.30
Rot. Bonds2

About iodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine

iodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine (PubChem CID 21153432) has the molecular formula C22H31IN2 and a molecular weight of 450.41 g/mol. Its IUPAC name is iodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine.

Molecular Properties

Compound Nameiodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine
PubChem CID21153432
Molecular FormulaC22H31IN2
Molecular Weight450.41 g/mol
Exact Mass450.15
IUPAC Nameiodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine
SMILESCI.CN1CCN(C2(c3cccc4ccccc34)CCCCC2)CC1
InChIInChI=1S/C21H28N2.CH3I/c1-22-14-16-23(17-15-22)21(12-5-2-6-13-21)20-11-7-9-18-8-3-4-10-19(18)20;1-2/h3-4,7-11H,2,5-6,12-17H2,1H3;1H3
InChIKeyZIZVBRNCVKIXMQ-UHFFFAOYSA-N
XLogP5.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.41
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-propan-2-ylcyclohexyl)naphthalene
CID 57087987
1-methyl-4-(1-phenylcyclopropyl)piperazine
CID 137320313
ethane;1-(1-methoxycyclopentyl)naphthalene
CID 91502072
1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine
CID 95475360
2,2-dimethyl-1-naphthalen-1-ylcyclopentan-1-ol
CID 79863482
2,4-dimethyl-2-naphthalen-1-ylmorpholine
CID 3066055
8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 117274099
1-naphthalen-1-ylcyclopentane-1-carbaldehyde
CID 86726004
1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine
CID 82026995
1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclooctan-1-ol;1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cycloheptan-1-ol
CID 158483163
5-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 61342915
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476

Frequently Asked Questions

What is the IUPAC name of iodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine?
The IUPAC name of iodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine (CID 21153432) is iodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine.
What is the SMILES notation for iodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine?
The canonical SMILES for iodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine is CI.CN1CCN(C2(c3cccc4ccccc34)CCCCC2)CC1.
What is the InChIKey of iodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine?
The InChIKey is ZIZVBRNCVKIXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2.CH3I/c1-22-14-16-23(17-15-22)21(12-5-2-6-13-21)20-11-7-9-18-8-3-4-10-19(18)20;1-2/h3-4,7-11H,2,5-6,12-17H2,1H3;1H3.
What are the key properties of iodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine?
iodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine has a molecular weight of 450.41 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine is sourced from PubChem (CID 21153432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).