1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine

C15H28N2 — CID 114228031

IUPAC1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(C2/C=C\CCCCC2)CC1
InChIInChI=1S/C15H28N2/c1-13(16)14-9-11-17(12-10-14)15-7-5-3-2-4-6-8-15/h5,7,13-15H,2-4,6,8-12,16H2,1H3/b7-5-
InChIKeyOUZGNGKUTAHHSW-ALCCZGGFSA-N
MW236.40 g/mol
LogP2.93
Rot. Bonds2

About 1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine

1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine (PubChem CID 114228031) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine
PubChem CID114228031
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(C2/C=C\CCCCC2)CC1
InChIInChI=1S/C15H28N2/c1-13(16)14-9-11-17(12-10-14)15-7-5-3-2-4-6-8-15/h5,7,13-15H,2-4,6,8-12,16H2,1H3/b7-5-
InChIKeyOUZGNGKUTAHHSW-ALCCZGGFSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-cyclohexylpiperidin-4-yl)ethanamine
CID 63594620
1-(1-cyclobutylpiperidin-4-yl)ethanamine
CID 63935984
2-[4-(1-aminoethyl)piperidin-1-yl]cyclohexan-1-ol
CID 63595035
8-[(2E)-cyclooct-2-en-1-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 114227945
1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
CID 103975759
2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine
CID 114620570
1-cyclohex-2-en-1-ylpiperidine-4-carboxamide
CID 171914153
1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone
CID 114620010
2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid
CID 114228011
1-[1-(1-cyclohexylethyl)piperidin-4-yl]ethanamine
CID 63596713
1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine
CID 63863007
1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65086223

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine (CID 114228031) is 1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine is CC(N)C1CCN(C2/C=C\CCCCC2)CC1.
What is the InChIKey of 1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine?
The InChIKey is OUZGNGKUTAHHSW-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H28N2/c1-13(16)14-9-11-17(12-10-14)15-7-5-3-2-4-6-8-15/h5,7,13-15H,2-4,6,8-12,16H2,1H3/b7-5-.
What are the key properties of 1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine?
1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine has a molecular weight of 236.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 114228031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).