1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine

C24H48IN4- — CID 156885221

IUPAC1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
SMILESCCC1CCN(CC(C)[I-]N2CCN(CC3CCN(CC(C)C)CC3)CC2)CC1
InChIInChI=1S/C24H48IN4/c1-5-23-6-10-27(11-7-23)19-22(4)25-29-16-14-28(15-17-29)20-24-8-12-26(13-9-24)18-21(2)3/h21-24H,5-20H2,1-4H3/q-1
InChIKeyRYGMQMQWHZZRBP-UHFFFAOYSA-N
MW519.58 g/mol
LogP0.49
Rot. Bonds9

About 1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine

1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine (PubChem CID 156885221) has the molecular formula C24H48IN4- and a molecular weight of 519.58 g/mol. Its IUPAC name is 1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
PubChem CID156885221
Molecular FormulaC24H48IN4-
Molecular Weight519.58 g/mol
Exact Mass519.29
IUPAC Name1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
SMILESCCC1CCN(CC(C)[I-]N2CCN(CC3CCN(CC(C)C)CC3)CC2)CC1
InChIInChI=1S/C24H48IN4/c1-5-23-6-10-27(11-7-23)19-22(4)25-29-16-14-28(15-17-29)20-24-8-12-26(13-9-24)18-21(2)3/h21-24H,5-20H2,1-4H3/q-1
InChIKeyRYGMQMQWHZZRBP-UHFFFAOYSA-N
XLogP0.49
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.58
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine
CID 171598401
1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
CID 167550394
3-(4-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872854
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-amine
CID 61441180
1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine
CID 177134711
4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidine
CID 126612510
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 63045605
1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885442
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine
CID 61442918

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine (CID 156885221) is 1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine is CCC1CCN(CC(C)[I-]N2CCN(CC3CCN(CC(C)C)CC3)CC2)CC1.
What is the InChIKey of 1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
The InChIKey is RYGMQMQWHZZRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48IN4/c1-5-23-6-10-27(11-7-23)19-22(4)25-29-16-14-28(15-17-29)20-24-8-12-26(13-9-24)18-21(2)3/h21-24H,5-20H2,1-4H3/q-1.
What are the key properties of 1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine?
1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine has a molecular weight of 519.58 g/mol, XLogP of 0.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 156885221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).