3-(1-iodoethyl)-1-propan-2-ylpiperidine

C10H20IN — CID 134456922

IUPAC3-(1-iodoethyl)-1-propan-2-ylpiperidine
SMILESCC(I)C1CCCN(C(C)C)C1
InChIInChI=1S/C10H20IN/c1-8(2)12-6-4-5-10(7-12)9(3)11/h8-10H,4-7H2,1-3H3
InChIKeySFRRZPFOLNPYBP-UHFFFAOYSA-N
MW281.18 g/mol
LogP2.93
Rot. Bonds2

About 3-(1-iodoethyl)-1-propan-2-ylpiperidine

3-(1-iodoethyl)-1-propan-2-ylpiperidine (PubChem CID 134456922) has the molecular formula C10H20IN and a molecular weight of 281.18 g/mol. Its IUPAC name is 3-(1-iodoethyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-(1-iodoethyl)-1-propan-2-ylpiperidine
PubChem CID134456922
Molecular FormulaC10H20IN
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC Name3-(1-iodoethyl)-1-propan-2-ylpiperidine
SMILESCC(I)C1CCCN(C(C)C)C1
InChIInChI=1S/C10H20IN/c1-8(2)12-6-4-5-10(7-12)9(3)11/h8-10H,4-7H2,1-3H3
InChIKeySFRRZPFOLNPYBP-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

4-(1-iodoethyl)-1-propan-2-ylpiperidine
CID 126675083
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
(3S,4S)-1-propan-2-ylazepane-3,4-diol
CID 166157364
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
1-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 171743044
fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
ethane;4-methyl-1-propan-2-ylazepane
CID 144749711
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
ethane;propan-2-ylcyclohexane;1-propan-2-ylpiperidine
CID 159094239

Frequently Asked Questions

What is the IUPAC name of 3-(1-iodoethyl)-1-propan-2-ylpiperidine?
The IUPAC name of 3-(1-iodoethyl)-1-propan-2-ylpiperidine (CID 134456922) is 3-(1-iodoethyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 3-(1-iodoethyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 3-(1-iodoethyl)-1-propan-2-ylpiperidine is CC(I)C1CCCN(C(C)C)C1.
What is the InChIKey of 3-(1-iodoethyl)-1-propan-2-ylpiperidine?
The InChIKey is SFRRZPFOLNPYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20IN/c1-8(2)12-6-4-5-10(7-12)9(3)11/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-(1-iodoethyl)-1-propan-2-ylpiperidine?
3-(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 3-(1-iodoethyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 134456922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).