4-(2-iodopropyl)piperidine

C8H16IN — CID 69040321

IUPAC4-(2-iodopropyl)piperidine
SMILESCC(I)CC1CCNCC1
InChIInChI=1S/C8H16IN/c1-7(9)6-8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3
InChIKeyLSQFAXVOLBMMKP-UHFFFAOYSA-N
MW253.13 g/mol
LogP2.20
Rot. Bonds2

About 4-(2-iodopropyl)piperidine

4-(2-iodopropyl)piperidine (PubChem CID 69040321) has the molecular formula C8H16IN and a molecular weight of 253.13 g/mol. Its IUPAC name is 4-(2-iodopropyl)piperidine.

Molecular Properties

Compound Name4-(2-iodopropyl)piperidine
PubChem CID69040321
Molecular FormulaC8H16IN
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Name4-(2-iodopropyl)piperidine
SMILESCC(I)CC1CCNCC1
InChIInChI=1S/C8H16IN/c1-7(9)6-8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3
InChIKeyLSQFAXVOLBMMKP-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2-iodopropyl)piperidine 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-diethyl-1-piperidin-4-ylpropan-2-amine
CID 105451801
4-(2-pyrrolidin-1-ylpropyl)piperidine
CID 105450292
4-(1-cyclopentylpropan-2-yl)piperidine
CID 131198877
4-(2-pyrrolidin-2-ylpropyl)piperidine
CID 173240417
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
1-cyclopentyl-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906903
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
2-amino-3-piperidin-4-ylpropanal
CID 22642524
(3R)-3-(1-iodoethyl)pyrrolidine
CID 89293649
(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
CID 169025052
3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 79708240
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodopropyl)piperidine?
The IUPAC name of 4-(2-iodopropyl)piperidine (CID 69040321) is 4-(2-iodopropyl)piperidine.
What is the SMILES notation for 4-(2-iodopropyl)piperidine?
The canonical SMILES for 4-(2-iodopropyl)piperidine is CC(I)CC1CCNCC1.
What is the InChIKey of 4-(2-iodopropyl)piperidine?
The InChIKey is LSQFAXVOLBMMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16IN/c1-7(9)6-8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-(2-iodopropyl)piperidine?
4-(2-iodopropyl)piperidine has a molecular weight of 253.13 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodopropyl)piperidine is sourced from PubChem (CID 69040321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).