ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine

C14H27N — CID 154671858

IUPACethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine
SMILESCC.CCN1CCC(C#CC(C)C)CC1
InChIInChI=1S/C12H21N.C2H6/c1-4-13-9-7-12(8-10-13)6-5-11(2)3;1-2/h11-12H,4,7-10H2,1-3H3;1-2H3
InChIKeyJRJRQRVRASADPP-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.40
Rot. Bonds1

About ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine

ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine (PubChem CID 154671858) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine.

Molecular Properties

Compound Nameethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine
PubChem CID154671858
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Nameethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine
SMILESCC.CCN1CCC(C#CC(C)C)CC1
InChIInChI=1S/C12H21N.C2H6/c1-4-13-9-7-12(8-10-13)6-5-11(2)3;1-2/h11-12H,4,7-10H2,1-3H3;1-2H3
InChIKeyJRJRQRVRASADPP-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[4-(3-methylbut-1-ynyl)piperidin-1-yl]butan-2-one
CID 167366052
3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide
CID 155582693
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
ethane;1-ethyl-4-[[4-[3-(3-methylbut-1-ynyl)cyclobutyl]oxypiperidin-1-yl]methyl]piperidine;hexane
CID 156719570
3-(1-ethylpiperidin-4-yl)prop-2-yn-1-ol
CID 117265365
1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588
3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]-3-oxopropanoyl fluoride
CID 155740588
ethane;1-ethyl-4-methylpiperidine
CID 143737046
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
1,4-diethylpiperidine;ethane
CID 143709904
4-(5-methylhexa-1,3-diynyl)-1-propan-2-ylpiperidine
CID 170691582
1-ethyl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 28716489

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine?
The IUPAC name of ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine (CID 154671858) is ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine.
What is the SMILES notation for ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine?
The canonical SMILES for ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine is CC.CCN1CCC(C#CC(C)C)CC1.
What is the InChIKey of ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine?
The InChIKey is JRJRQRVRASADPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.C2H6/c1-4-13-9-7-12(8-10-13)6-5-11(2)3;1-2/h11-12H,4,7-10H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine?
ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine has a molecular weight of 209.38 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine is sourced from PubChem (CID 154671858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).