(Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate

C11H20NO- — CID 165157100

IUPAC(Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate
SMILESCC(C)(C)/C([O-])=C/N1CCCCC1
InChIInChI=1S/C11H21NO/c1-11(2,3)10(13)9-12-7-5-4-6-8-12/h9,13H,4-8H2,1-3H3/p-1/b10-9-
InChIKeyMSQXSQYFSCZIDE-KTKRTIGZSA-M
MW182.29 g/mol
LogP1.72
Rot. Bonds1

About (Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate

(Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate (PubChem CID 165157100) has the molecular formula C11H20NO- and a molecular weight of 182.29 g/mol. Its IUPAC name is (Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate.

Molecular Properties

Compound Name(Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate
PubChem CID165157100
Molecular FormulaC11H20NO-
Molecular Weight182.29 g/mol
Exact Mass182.16
IUPAC Name(Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate
SMILESCC(C)(C)/C([O-])=C/N1CCCCC1
InChIInChI=1S/C11H21NO/c1-11(2,3)10(13)9-12-7-5-4-6-8-12/h9,13H,4-8H2,1-3H3/p-1/b10-9-
InChIKeyMSQXSQYFSCZIDE-KTKRTIGZSA-M
XLogP1.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-pyrrolidin-1-ylprop-1-en-2-ol
CID 45085255
2-methyl-3-piperidin-1-ylprop-2-enal
CID 139894939
(Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one
CID 71775865
1-[(1Z,3E)-3-methyl-2,4-dinitrobuta-1,3-dienyl]piperidine
CID 23249839
N,N,2-trimethyl-2-piperidin-1-ylpropanamide
CID 118311285
1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine
CID 131865391
1-[(E)-2-ethylhex-1-enyl]piperidine
CID 90470845
methyl 3-oxo-2-(piperidin-1-ylmethylidene)butanoate
CID 54144395
erbium(3+);tris((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
CID 134067804
2,2,4-trimethyl-4-pyrrolidin-1-ylpentan-3-one
CID 79056343
N-tert-butyl-1-pyrrolidin-1-ylmethanimine
CID 551065
2,2,5,5-tetramethyl-4-(morpholin-4-ylmethylidene)hexan-3-one
CID 71319313

Frequently Asked Questions

What is the IUPAC name of (Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate?
The IUPAC name of (Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate (CID 165157100) is (Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate.
What is the SMILES notation for (Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate?
The canonical SMILES for (Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate is CC(C)(C)/C([O-])=C/N1CCCCC1.
What is the InChIKey of (Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate?
The InChIKey is MSQXSQYFSCZIDE-KTKRTIGZSA-M. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)10(13)9-12-7-5-4-6-8-12/h9,13H,4-8H2,1-3H3/p-1/b10-9-.
What are the key properties of (Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate?
(Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate has a molecular weight of 182.29 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate is sourced from PubChem (CID 165157100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).