ethane;1-prop-1-en-2-ylpiperidine

C10H21N — CID 142839582

IUPACethane;1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCCCC1.CC
InChIInChI=1S/C8H15N.C2H6/c1-8(2)9-6-4-3-5-7-9;1-2/h1,3-7H2,2H3;1-2H3
InChIKeyAEQBQBHLFXVAAY-UHFFFAOYSA-N
MW155.28 g/mol
LogP3.03
Rot. Bonds1

About ethane;1-prop-1-en-2-ylpiperidine

ethane;1-prop-1-en-2-ylpiperidine (PubChem CID 142839582) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Nameethane;1-prop-1-en-2-ylpiperidine
PubChem CID142839582
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCCCC1.CC
InChIInChI=1S/C8H15N.C2H6/c1-8(2)9-6-4-3-5-7-9;1-2/h1,3-7H2,2H3;1-2H3
InChIKeyAEQBQBHLFXVAAY-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-prop-1-en-2-ylpiperidine?
The IUPAC name of ethane;1-prop-1-en-2-ylpiperidine (CID 142839582) is ethane;1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for ethane;1-prop-1-en-2-ylpiperidine?
The canonical SMILES for ethane;1-prop-1-en-2-ylpiperidine is C=C(C)N1CCCCC1.CC.
What is the InChIKey of ethane;1-prop-1-en-2-ylpiperidine?
The InChIKey is AEQBQBHLFXVAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-8(2)9-6-4-3-5-7-9;1-2/h1,3-7H2,2H3;1-2H3.
What are the key properties of ethane;1-prop-1-en-2-ylpiperidine?
ethane;1-prop-1-en-2-ylpiperidine has a molecular weight of 155.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 142839582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).