1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine

C12H22IN3 — CID 130391537

IUPAC1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine
SMILESIN1CCC(N2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C12H22IN3/c13-16-5-3-12(4-6-16)15-9-7-14(8-10-15)11-1-2-11/h11-12H,1-10H2
InChIKeyQXAYXWQDKQPXHD-UHFFFAOYSA-N
MW335.23 g/mol
LogP1.58
Rot. Bonds2

About 1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine

1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine (PubChem CID 130391537) has the molecular formula C12H22IN3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine
PubChem CID130391537
Molecular FormulaC12H22IN3
Molecular Weight335.23 g/mol
Exact Mass335.09
IUPAC Name1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine
SMILESIN1CCC(N2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C12H22IN3/c13-16-5-3-12(4-6-16)15-9-7-14(8-10-15)11-1-2-11/h11-12H,1-10H2
InChIKeyQXAYXWQDKQPXHD-UHFFFAOYSA-N
XLogP1.58
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine?
The IUPAC name of 1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine (CID 130391537) is 1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine.
What is the SMILES notation for 1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine?
The canonical SMILES for 1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine is IN1CCC(N2CCN(C3CC3)CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine?
The InChIKey is QXAYXWQDKQPXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22IN3/c13-16-5-3-12(4-6-16)15-9-7-14(8-10-15)11-1-2-11/h11-12H,1-10H2.
What are the key properties of 1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine?
1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine has a molecular weight of 335.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine is sourced from PubChem (CID 130391537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).