4-cyclopropylpiperidine-1-carbonyl iodide

C9H14INO — CID 167219975

IUPAC4-cyclopropylpiperidine-1-carbonyl iodide
SMILESO=C(I)N1CCC(C2CC2)CC1
InChIInChI=1S/C9H14INO/c10-9(12)11-5-3-8(4-6-11)7-1-2-7/h7-8H,1-6H2
InChIKeyWZGZDOFOTBSKRB-UHFFFAOYSA-N
MW279.12 g/mol
LogP2.66
Rot. Bonds1

About 4-cyclopropylpiperidine-1-carbonyl iodide

4-cyclopropylpiperidine-1-carbonyl iodide (PubChem CID 167219975) has the molecular formula C9H14INO and a molecular weight of 279.12 g/mol. Its IUPAC name is 4-cyclopropylpiperidine-1-carbonyl iodide.

Molecular Properties

Compound Name4-cyclopropylpiperidine-1-carbonyl iodide
PubChem CID167219975
Molecular FormulaC9H14INO
Molecular Weight279.12 g/mol
Exact Mass279.01
IUPAC Name4-cyclopropylpiperidine-1-carbonyl iodide
SMILESO=C(I)N1CCC(C2CC2)CC1
InChIInChI=1S/C9H14INO/c10-9(12)11-5-3-8(4-6-11)7-1-2-7/h7-8H,1-6H2
InChIKeyWZGZDOFOTBSKRB-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-aminopiperidine-1-carbonyl iodide
CID 89243614
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 126758675
2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 58136033
2-bromo-1-(3-cyclopropylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 130871463
acetic acid;bicyclo[2.2.0]hexane;ethane
CID 123577284
1-(4-cyclobutylpiperidin-1-yl)prop-2-yn-1-one
CID 164651452
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 169054534
1-(4-bromopiperidin-1-yl)ethanone
CID 22894003
1-(4-sulfanylpiperidin-1-yl)ethanone
CID 91167607
1-acetyl-N-hydroxypiperidine-4-carboxamide
CID 126992136
1-(4-nitropiperidin-1-yl)ethanone
CID 156884251

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylpiperidine-1-carbonyl iodide?
The IUPAC name of 4-cyclopropylpiperidine-1-carbonyl iodide (CID 167219975) is 4-cyclopropylpiperidine-1-carbonyl iodide.
What is the SMILES notation for 4-cyclopropylpiperidine-1-carbonyl iodide?
The canonical SMILES for 4-cyclopropylpiperidine-1-carbonyl iodide is O=C(I)N1CCC(C2CC2)CC1.
What is the InChIKey of 4-cyclopropylpiperidine-1-carbonyl iodide?
The InChIKey is WZGZDOFOTBSKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14INO/c10-9(12)11-5-3-8(4-6-11)7-1-2-7/h7-8H,1-6H2.
What are the key properties of 4-cyclopropylpiperidine-1-carbonyl iodide?
4-cyclopropylpiperidine-1-carbonyl iodide has a molecular weight of 279.12 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylpiperidine-1-carbonyl iodide is sourced from PubChem (CID 167219975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).