1-cyclopentyl-4-(1-iodoethyl)piperazine

C11H21IN2 — CID 139493034

IUPAC1-cyclopentyl-4-(1-iodoethyl)piperazine
SMILESCC(I)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C11H21IN2/c1-10(12)13-6-8-14(9-7-13)11-4-2-3-5-11/h10-11H,2-9H2,1H3
InChIKeyDBCYJWUPAXOZDQ-UHFFFAOYSA-N
MW308.21 g/mol
LogP2.33
Rot. Bonds2

About 1-cyclopentyl-4-(1-iodoethyl)piperazine

1-cyclopentyl-4-(1-iodoethyl)piperazine (PubChem CID 139493034) has the molecular formula C11H21IN2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 1-cyclopentyl-4-(1-iodoethyl)piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-(1-iodoethyl)piperazine
PubChem CID139493034
Molecular FormulaC11H21IN2
Molecular Weight308.21 g/mol
Exact Mass308.07
IUPAC Name1-cyclopentyl-4-(1-iodoethyl)piperazine
SMILESCC(I)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C11H21IN2/c1-10(12)13-6-8-14(9-7-13)11-4-2-3-5-11/h10-11H,2-9H2,1H3
InChIKeyDBCYJWUPAXOZDQ-UHFFFAOYSA-N
XLogP2.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 52.33
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,4-dicyclohexyl-7-[1-(4,7-dicyclohexyl-1,4,7-triazonan-1-yl)ethyl]-1,4,7-triazonane
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1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
CID 126892268
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanethiol
CID 166817734
1-cyclohexylazetidine;2-methylpropane
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1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
4-(4-cyclopentylpiperazin-1-yl)pentan-2-ol
CID 64720163
1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine
CID 130220331
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
1-(oxocan-4-yl)-4-propan-2-ylpiperazine
CID 146561161
4-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 55072549
N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 62446554
1-cyclopropyl-4-(3-methylbutan-2-yl)piperazine
CID 138669145

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(1-iodoethyl)piperazine?
The IUPAC name of 1-cyclopentyl-4-(1-iodoethyl)piperazine (CID 139493034) is 1-cyclopentyl-4-(1-iodoethyl)piperazine.
What is the SMILES notation for 1-cyclopentyl-4-(1-iodoethyl)piperazine?
The canonical SMILES for 1-cyclopentyl-4-(1-iodoethyl)piperazine is CC(I)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-(1-iodoethyl)piperazine?
The InChIKey is DBCYJWUPAXOZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IN2/c1-10(12)13-6-8-14(9-7-13)11-4-2-3-5-11/h10-11H,2-9H2,1H3.
What are the key properties of 1-cyclopentyl-4-(1-iodoethyl)piperazine?
1-cyclopentyl-4-(1-iodoethyl)piperazine has a molecular weight of 308.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(1-iodoethyl)piperazine is sourced from PubChem (CID 139493034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).