1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine

C8H17IN2 — CID 126516325

IUPAC1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN(I)C1
InChIInChI=1S/C8H17IN2/c1-10(2)6-8-4-3-5-11(9)7-8/h8H,3-7H2,1-2H3
InChIKeyHPFAGEGYSZQOIH-UHFFFAOYSA-N
MW268.14 g/mol
LogP1.61
Rot. Bonds2

About 1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine

1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine (PubChem CID 126516325) has the molecular formula C8H17IN2 and a molecular weight of 268.14 g/mol. Its IUPAC name is 1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine
PubChem CID126516325
Molecular FormulaC8H17IN2
Molecular Weight268.14 g/mol
Exact Mass268.04
IUPAC Name1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN(I)C1
InChIInChI=1S/C8H17IN2/c1-10(2)6-8-4-3-5-11(9)7-8/h8H,3-7H2,1-2H3
InChIKeyHPFAGEGYSZQOIH-UHFFFAOYSA-N
XLogP1.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
CID 142888421
N,N-dimethyl-1-(1-methylazepan-3-yl)methanamine
CID 121402940
1-cyclobutyl-N,N-dimethylmethanamine
CID 4285302
N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 163258201
2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid
CID 96554914
1-cycloheptyl-N,N-dimethylmethanamine
CID 58845214
(2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 100881377
2-chloro-1-[3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 66567923
N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine
CID 146215533
N,N-dimethyl-1-(1-pyrrolidin-3-ylpiperidin-3-yl)methanamine
CID 83835122
(1-iodopiperidin-3-yl)methanesulfonamide
CID 178012534
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine (CID 126516325) is 1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine is CN(C)CC1CCCN(I)C1.
What is the InChIKey of 1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is HPFAGEGYSZQOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17IN2/c1-10(2)6-8-4-3-5-11(9)7-8/h8H,3-7H2,1-2H3.
What are the key properties of 1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine?
1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 268.14 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodopiperidin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 126516325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).