[(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone

C15H26N2O2 — CID 142450638

IUPAC[(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(C)CC/C=C\C(O)CC2)CC1
InChIInChI=1S/C15H26N2O2/c1-15(7-4-3-5-13(18)6-8-15)14(19)17-11-9-16(2)10-12-17/h3,5,13,18H,4,6-12H2,1-2H3/b5-3-
InChIKeyNFRPXULTRULTIY-HYXAFXHYSA-N
MW266.38 g/mol
LogP1.26
Rot. Bonds1

About [(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone

[(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 142450638) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is [(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID142450638
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name[(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(C)CC/C=C\C(O)CC2)CC1
InChIInChI=1S/C15H26N2O2/c1-15(7-4-3-5-13(18)6-8-15)14(19)17-11-9-16(2)10-12-17/h3,5,13,18H,4,6-12H2,1-2H3/b5-3-
InChIKeyNFRPXULTRULTIY-HYXAFXHYSA-N
XLogP1.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,4Z,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid;bis((1S,4E,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid);(1R,4Z,6R)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid;bis((1R,4E,6R)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid)
CID 167557842
methyl (1S,4E,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylate
CID 159107949
[(1S,2E,6S)-6-methyl-6-(morpholine-4-carbonyl)cyclooct-2-en-1-yl] N-methylcarbamate
CID 158403169
(3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 170181641
(1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol
CID 160751719
methyl (4E,6S)-1-ethyl-6-hydroxycyclooct-4-ene-1-carboxylate
CID 159364636
(7-cyclopropylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1-methylcyclohex-3-en-1-yl)methanone
CID 131691121
1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 3151272
trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 769339
cyclobutyl 4-methylpiperazine-1-carboxylate
CID 131024600
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
CID 130162770
(4-aminopiperidin-1-yl)-(1-methylcyclopropyl)methanone;hydrochloride
CID 166001469

Frequently Asked Questions

What is the IUPAC name of [(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 142450638) is [(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(C)CC/C=C\C(O)CC2)CC1.
What is the InChIKey of [(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NFRPXULTRULTIY-HYXAFXHYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(7-4-3-5-13(18)6-8-15)14(19)17-11-9-16(2)10-12-17/h3,5,13,18H,4,6-12H2,1-2H3/b5-3-.
What are the key properties of [(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone?
[(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 266.38 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-6-hydroxy-1-methylcyclooct-4-en-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 142450638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).