1-(iodomethyl)-N-methylpiperidin-3-amine

C7H15IN2 — CID 89092988

IUPAC1-(iodomethyl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(CI)C1
InChIInChI=1S/C7H15IN2/c1-9-7-3-2-4-10(5-7)6-8/h7,9H,2-6H2,1H3
InChIKeyXLFSQPAMPLHLCK-UHFFFAOYSA-N
MW254.11 g/mol
LogP1.06
Rot. Bonds2

About 1-(iodomethyl)-N-methylpiperidin-3-amine

1-(iodomethyl)-N-methylpiperidin-3-amine (PubChem CID 89092988) has the molecular formula C7H15IN2 and a molecular weight of 254.11 g/mol. Its IUPAC name is 1-(iodomethyl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(iodomethyl)-N-methylpiperidin-3-amine
PubChem CID89092988
Molecular FormulaC7H15IN2
Molecular Weight254.11 g/mol
Exact Mass254.03
IUPAC Name1-(iodomethyl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(CI)C1
InChIInChI=1S/C7H15IN2/c1-9-7-3-2-4-10(5-7)6-8/h7,9H,2-6H2,1H3
InChIKeyXLFSQPAMPLHLCK-UHFFFAOYSA-N
XLogP1.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-N-methylpiperidin-3-amine
CID 62534430
N-methyl-1-[(2-methylcyclopentyl)methyl]piperidin-3-amine
CID 107420790
1-(2-cyclohexylethyl)-N-methylpiperidin-3-amine;hydrochloride
CID 119919012
1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine
CID 115741362
1-(3-methoxy-2,2-dimethylpropyl)-N-methylpiperidin-3-amine
CID 120838017
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-cyclopropyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546013
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
1-(azepan-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918785
2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile
CID 65250985
butane;N,1-dimethylpiperidin-3-amine
CID 91437867
1-(furan-3-ylmethyl)-N-methylpiperidin-3-amine
CID 63208656

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-N-methylpiperidin-3-amine?
The IUPAC name of 1-(iodomethyl)-N-methylpiperidin-3-amine (CID 89092988) is 1-(iodomethyl)-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(iodomethyl)-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(iodomethyl)-N-methylpiperidin-3-amine is CNC1CCCN(CI)C1.
What is the InChIKey of 1-(iodomethyl)-N-methylpiperidin-3-amine?
The InChIKey is XLFSQPAMPLHLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IN2/c1-9-7-3-2-4-10(5-7)6-8/h7,9H,2-6H2,1H3.
What are the key properties of 1-(iodomethyl)-N-methylpiperidin-3-amine?
1-(iodomethyl)-N-methylpiperidin-3-amine has a molecular weight of 254.11 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 89092988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).