1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine

C11H22INO — CID 135179208

IUPAC1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine
SMILESCOC1CN(C(C)(C)C)CCC1CI
InChIInChI=1S/C11H22INO/c1-11(2,3)13-6-5-9(7-12)10(8-13)14-4/h9-10H,5-8H2,1-4H3
InChIKeyJMYDULLPAJHEOE-UHFFFAOYSA-N
MW311.21 g/mol
LogP2.56
Rot. Bonds2

About 1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine

1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine (PubChem CID 135179208) has the molecular formula C11H22INO and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine
PubChem CID135179208
Molecular FormulaC11H22INO
Molecular Weight311.21 g/mol
Exact Mass311.07
IUPAC Name1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine
SMILESCOC1CN(C(C)(C)C)CCC1CI
InChIInChI=1S/C11H22INO/c1-11(2,3)13-6-5-9(7-12)10(8-13)14-4/h9-10H,5-8H2,1-4H3
InChIKeyJMYDULLPAJHEOE-UHFFFAOYSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 52.56
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'}

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Related Compounds

(3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine
CID 166649366
1-tert-butyl-4-ethylpiperidin-3-ol
CID 146520403
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine
CID 166567506
(1-ethyl-3-methoxypiperidin-4-yl)methanamine
CID 142983498
N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 94464287
1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629837
1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629990
1-tert-butyl-3-tert-butylsulfanylpyrrolidine
CID 59522782
(3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 166567303
(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol
CID 90286839
(3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine
CID 129088258
(2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine
CID 166767251

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine?
The IUPAC name of 1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine (CID 135179208) is 1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine.
What is the SMILES notation for 1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine?
The canonical SMILES for 1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine is COC1CN(C(C)(C)C)CCC1CI.
What is the InChIKey of 1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine?
The InChIKey is JMYDULLPAJHEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22INO/c1-11(2,3)13-6-5-9(7-12)10(8-13)14-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine?
1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine has a molecular weight of 311.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(iodomethyl)-3-methoxypiperidine is sourced from PubChem (CID 135179208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).