4-(1-iodoethyl)-1-propan-2-ylpiperidine

C10H20IN — CID 126675083

IUPAC4-(1-iodoethyl)-1-propan-2-ylpiperidine
SMILESCC(I)C1CCN(C(C)C)CC1
InChIInChI=1S/C10H20IN/c1-8(2)12-6-4-10(5-7-12)9(3)11/h8-10H,4-7H2,1-3H3
InChIKeyVWPDERNBSGQCPF-UHFFFAOYSA-N
MW281.18 g/mol
LogP2.93
Rot. Bonds2

About 4-(1-iodoethyl)-1-propan-2-ylpiperidine

4-(1-iodoethyl)-1-propan-2-ylpiperidine (PubChem CID 126675083) has the molecular formula C10H20IN and a molecular weight of 281.18 g/mol. Its IUPAC name is 4-(1-iodoethyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(1-iodoethyl)-1-propan-2-ylpiperidine
PubChem CID126675083
Molecular FormulaC10H20IN
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC Name4-(1-iodoethyl)-1-propan-2-ylpiperidine
SMILESCC(I)C1CCN(C(C)C)CC1
InChIInChI=1S/C10H20IN/c1-8(2)12-6-4-10(5-7-12)9(3)11/h8-10H,4-7H2,1-3H3
InChIKeyVWPDERNBSGQCPF-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-di(propan-2-yl)piperidine
CID 21303253
methane;1-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 158419714
3-(1-iodoethyl)-1-propan-2-ylpiperidine
CID 134456922
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
CID 117238997
2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
CID 117239485
(1-propan-2-ylpiperidin-4-yl)arsane
CID 173205346
4-bromo-1-propan-2-ylpiperidine
CID 67026231
1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 170629653
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);methane
CID 159687749

Frequently Asked Questions

What is the IUPAC name of 4-(1-iodoethyl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(1-iodoethyl)-1-propan-2-ylpiperidine (CID 126675083) is 4-(1-iodoethyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(1-iodoethyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(1-iodoethyl)-1-propan-2-ylpiperidine is CC(I)C1CCN(C(C)C)CC1.
What is the InChIKey of 4-(1-iodoethyl)-1-propan-2-ylpiperidine?
The InChIKey is VWPDERNBSGQCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20IN/c1-8(2)12-6-4-10(5-7-12)9(3)11/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-(1-iodoethyl)-1-propan-2-ylpiperidine?
4-(1-iodoethyl)-1-propan-2-ylpiperidine has a molecular weight of 281.18 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-iodoethyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 126675083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).