4-(3-iodopropyl)-1-methylpiperidine

C9H18IN — CID 18723182

IUPAC4-(3-iodopropyl)-1-methylpiperidine
SMILESCN1CCC(CCCI)CC1
InChIInChI=1S/C9H18IN/c1-11-7-4-9(5-8-11)3-2-6-10/h9H,2-8H2,1H3
InChIKeyKDFQRGOOAUPYEV-UHFFFAOYSA-N
MW267.15 g/mol
LogP2.54
Rot. Bonds3

About 4-(3-iodopropyl)-1-methylpiperidine

4-(3-iodopropyl)-1-methylpiperidine (PubChem CID 18723182) has the molecular formula C9H18IN and a molecular weight of 267.15 g/mol. Its IUPAC name is 4-(3-iodopropyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(3-iodopropyl)-1-methylpiperidine
PubChem CID18723182
Molecular FormulaC9H18IN
Molecular Weight267.15 g/mol
Exact Mass267.05
IUPAC Name4-(3-iodopropyl)-1-methylpiperidine
SMILESCN1CCC(CCCI)CC1
InChIInChI=1S/C9H18IN/c1-11-7-4-9(5-8-11)3-2-6-10/h9H,2-8H2,1H3
InChIKeyKDFQRGOOAUPYEV-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 52.54
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-tert-butyl-4-(3-iodopropyl)piperidine
CID 118498974
4-(3-chloropropyl)-1-methylpiperidine;hydrochloride
CID 154791310
N-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
CID 83817392
3-iodopropylcyclopentane
CID 15508337
4-(2-chloroethyl)-1-methylpiperidine
CID 22568277
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885357
4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
CID 175626941
4-(2-butoxyethyl)-1-methylpiperidine
CID 23544400
1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
CID 178033502
2-(1-methylpiperidin-4-yl)ethylphosphonous acid
CID 143159252
S-methyl 3-(1-methylpiperidin-4-yl)propanethioate
CID 147245014

Frequently Asked Questions

What is the IUPAC name of 4-(3-iodopropyl)-1-methylpiperidine?
The IUPAC name of 4-(3-iodopropyl)-1-methylpiperidine (CID 18723182) is 4-(3-iodopropyl)-1-methylpiperidine.
What is the SMILES notation for 4-(3-iodopropyl)-1-methylpiperidine?
The canonical SMILES for 4-(3-iodopropyl)-1-methylpiperidine is CN1CCC(CCCI)CC1.
What is the InChIKey of 4-(3-iodopropyl)-1-methylpiperidine?
The InChIKey is KDFQRGOOAUPYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18IN/c1-11-7-4-9(5-8-11)3-2-6-10/h9H,2-8H2,1H3.
What are the key properties of 4-(3-iodopropyl)-1-methylpiperidine?
4-(3-iodopropyl)-1-methylpiperidine has a molecular weight of 267.15 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodopropyl)-1-methylpiperidine is sourced from PubChem (CID 18723182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).