1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine

C14H27IN2 — CID 171641837

IUPAC1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine
SMILESCCN1CCC(CCC2CCN(I)CC2)CC1
InChIInChI=1S/C14H27IN2/c1-2-16-9-5-13(6-10-16)3-4-14-7-11-17(15)12-8-14/h13-14H,2-12H2,1H3
InChIKeyWAONDFVNULOSOM-UHFFFAOYSA-N
MW350.29 g/mol
LogP3.56
Rot. Bonds4

About 1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine

1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine (PubChem CID 171641837) has the molecular formula C14H27IN2 and a molecular weight of 350.29 g/mol. Its IUPAC name is 1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine
PubChem CID171641837
Molecular FormulaC14H27IN2
Molecular Weight350.29 g/mol
Exact Mass350.12
IUPAC Name1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine
SMILESCCN1CCC(CCC2CCN(I)CC2)CC1
InChIInChI=1S/C14H27IN2/c1-2-16-9-5-13(6-10-16)3-4-14-7-11-17(15)12-8-14/h13-14H,2-12H2,1H3
InChIKeyWAONDFVNULOSOM-UHFFFAOYSA-N
XLogP3.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 53.56
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'}

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Related Compounds

4-butyl-1-ethylpiperidine;hydrofluoride
CID 175875172
4-(3,3-dimethylbutyl)-1-ethylpiperidine
CID 58286807
benzene;ethane;1-ethyl-4-propylpiperidine
CID 90839666
1,4-diethylpiperidine;ethane
CID 143709904
1-(2-cyclopropylethyl)-4-ethylpiperazine
CID 171795940
1,4-diethylazepane
CID 67522864
5-(1-ethylpiperidin-4-yl)pentanoic acid
CID 165463146
1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588
1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509
1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970
1-ethyl-4-(ethyliodanuidylmethyl)piperidine
CID 165122630
ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen
CID 156795305

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine?
The IUPAC name of 1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine (CID 171641837) is 1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine.
What is the SMILES notation for 1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine?
The canonical SMILES for 1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine is CCN1CCC(CCC2CCN(I)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine?
The InChIKey is WAONDFVNULOSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IN2/c1-2-16-9-5-13(6-10-16)3-4-14-7-11-17(15)12-8-14/h13-14H,2-12H2,1H3.
What are the key properties of 1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine?
1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine has a molecular weight of 350.29 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine is sourced from PubChem (CID 171641837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).