(E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one

C15H27NO — CID 146956938

IUPAC(E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one
SMILESCCN1CCC(CCC(=O)/C=C/C(C)C)CC1
InChIInChI=1S/C15H27NO/c1-4-16-11-9-14(10-12-16)6-8-15(17)7-5-13(2)3/h5,7,13-14H,4,6,8-12H2,1-3H3/b7-5+
InChIKeyAJVAMBAAOGNVIC-FNORWQNLSA-N
MW237.39 g/mol
LogP3.28
Rot. Bonds6

About (E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one

(E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one (PubChem CID 146956938) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one.

Molecular Properties

Compound Name(E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one
PubChem CID146956938
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one
SMILESCCN1CCC(CCC(=O)/C=C/C(C)C)CC1
InChIInChI=1S/C15H27NO/c1-4-16-11-9-14(10-12-16)6-8-15(17)7-5-13(2)3/h5,7,13-14H,4,6,8-12H2,1-3H3/b7-5+
InChIKeyAJVAMBAAOGNVIC-FNORWQNLSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one?
The IUPAC name of (E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one (CID 146956938) is (E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one.
What is the SMILES notation for (E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one?
The canonical SMILES for (E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one is CCN1CCC(CCC(=O)/C=C/C(C)C)CC1.
What is the InChIKey of (E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one?
The InChIKey is AJVAMBAAOGNVIC-FNORWQNLSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-16-11-9-14(10-12-16)6-8-15(17)7-5-13(2)3/h5,7,13-14H,4,6,8-12H2,1-3H3/b7-5+.
What are the key properties of (E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one?
(E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one has a molecular weight of 237.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-ethylpiperidin-4-yl)-6-methylhept-4-en-3-one is sourced from PubChem (CID 146956938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).