1-tert-butyl-4-(3-iodopropyl)piperidine

C12H24IN — CID 118498974

IUPAC1-tert-butyl-4-(3-iodopropyl)piperidine
SMILESCC(C)(C)N1CCC(CCCI)CC1
InChIInChI=1S/C12H24IN/c1-12(2,3)14-9-6-11(7-10-14)5-4-8-13/h11H,4-10H2,1-3H3
InChIKeyHASOWQZISZAQQG-UHFFFAOYSA-N
MW309.24 g/mol
LogP3.71
Rot. Bonds3

About 1-tert-butyl-4-(3-iodopropyl)piperidine

1-tert-butyl-4-(3-iodopropyl)piperidine (PubChem CID 118498974) has the molecular formula C12H24IN and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-iodopropyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(3-iodopropyl)piperidine
PubChem CID118498974
Molecular FormulaC12H24IN
Molecular Weight309.24 g/mol
Exact Mass309.10
IUPAC Name1-tert-butyl-4-(3-iodopropyl)piperidine
SMILESCC(C)(C)N1CCC(CCCI)CC1
InChIInChI=1S/C12H24IN/c1-12(2,3)14-9-6-11(7-10-14)5-4-8-13/h11H,4-10H2,1-3H3
InChIKeyHASOWQZISZAQQG-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 53.71
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-(3-iodopropyl)-1-methylpiperidine
CID 18723182
1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine
CID 166875797
3-iodopropylcyclopentane
CID 15508337
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine
CID 134415057
1-(1-tert-butylpiperidin-4-yl)hexan-2-one
CID 148889148
(2S,6R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 146548367
4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 176629920
butyl 4-(3-iodopropyl)piperidine-1-carboxylate
CID 151178027
(2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 146549044
N-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]cyclohexan-1-amine
CID 58109911
1-tert-butyl-4-[1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidin-4-yl]piperazine
CID 168727139

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-iodopropyl)piperidine?
The IUPAC name of 1-tert-butyl-4-(3-iodopropyl)piperidine (CID 118498974) is 1-tert-butyl-4-(3-iodopropyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(3-iodopropyl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(3-iodopropyl)piperidine is CC(C)(C)N1CCC(CCCI)CC1.
What is the InChIKey of 1-tert-butyl-4-(3-iodopropyl)piperidine?
The InChIKey is HASOWQZISZAQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24IN/c1-12(2,3)14-9-6-11(7-10-14)5-4-8-13/h11H,4-10H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(3-iodopropyl)piperidine?
1-tert-butyl-4-(3-iodopropyl)piperidine has a molecular weight of 309.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-iodopropyl)piperidine is sourced from PubChem (CID 118498974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).