(Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one

C17H27NO — CID 134868277

IUPAC(Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one
SMILESCCCC(=O)/C=C\C1=C(N2CCCCC2)CCCC1
InChIInChI=1S/C17H27NO/c1-2-8-16(19)12-11-15-9-4-5-10-17(15)18-13-6-3-7-14-18/h11-12H,2-10,13-14H2,1H3/b12-11-
InChIKeyLZTCHUNGPTUXMC-QXMHVHEDSA-N
MW261.41 g/mol
LogP4.23
Rot. Bonds5

About (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one

(Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one (PubChem CID 134868277) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one
PubChem CID134868277
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one
SMILESCCCC(=O)/C=C\C1=C(N2CCCCC2)CCCC1
InChIInChI=1S/C17H27NO/c1-2-8-16(19)12-11-15-9-4-5-10-17(15)18-13-6-3-7-14-18/h11-12H,2-10,13-14H2,1H3/b12-11-
InChIKeyLZTCHUNGPTUXMC-QXMHVHEDSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.23
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 (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one?
The IUPAC name of (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one (CID 134868277) is (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one.
What is the SMILES notation for (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one?
The canonical SMILES for (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one is CCCC(=O)/C=C\C1=C(N2CCCCC2)CCCC1.
What is the InChIKey of (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one?
The InChIKey is LZTCHUNGPTUXMC-QXMHVHEDSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-8-16(19)12-11-15-9-4-5-10-17(15)18-13-6-3-7-14-18/h11-12H,2-10,13-14H2,1H3/b12-11-.
What are the key properties of (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one?
(Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one has a molecular weight of 261.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-piperidin-1-ylcyclohexen-1-yl)hex-1-en-3-one is sourced from PubChem (CID 134868277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).