deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine

C20H23N — CID 167581175

IUPACdeca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine
SMILESC#CC#CC#CC#CC#C.CCC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C10H2/c1-4-10-5-7-11(8-6-10)9(2)3;1-3-5-7-9-10-8-6-4-2/h9-10H,4-8H2,1-3H3;1-2H
InChIKeyHEVRNXSCMJUKDP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds2

About deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine

deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine (PubChem CID 167581175) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Namedeca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine
PubChem CID167581175
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Namedeca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine
SMILESC#CC#CC#CC#CC#C.CCC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C10H2/c1-4-10-5-7-11(8-6-10)9(2)3;1-3-5-7-9-10-8-6-4-2/h9-10H,4-8H2,1-3H3;1-2H
InChIKeyHEVRNXSCMJUKDP-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.78
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

4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine
CID 176984811
4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol
CID 163560284
1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine
CID 164850348
(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone
CID 167480439
ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
3-(4-ethylpiperidin-1-yl)butanenitrile
CID 61361415
(4-ethylpiperidin-1-yl)-(1-propan-2-ylazetidin-3-yl)methanone
CID 171093987
3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine
CID 177228245
1,4-di(propan-2-yl)piperidine
CID 21303253
cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane
CID 167284371

Frequently Asked Questions

What is the IUPAC name of deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine?
The IUPAC name of deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine (CID 167581175) is deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine.
What is the SMILES notation for deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine?
The canonical SMILES for deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine is C#CC#CC#CC#CC#C.CCC1CCN(C(C)C)CC1.
What is the InChIKey of deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine?
The InChIKey is HEVRNXSCMJUKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C10H2/c1-4-10-5-7-11(8-6-10)9(2)3;1-3-5-7-9-10-8-6-4-2/h9-10H,4-8H2,1-3H3;1-2H.
What are the key properties of deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine?
deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine has a molecular weight of 277.41 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 167581175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).