2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine

C18H31NO — CID 102902835

IUPAC2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine
SMILESCC(=CC1CCC2(CCCCC2)O1)CC1CCCCN1
InChIInChI=1S/C18H31NO/c1-15(13-16-7-3-6-12-19-16)14-17-8-11-18(20-17)9-4-2-5-10-18/h14,16-17,19H,2-13H2,1H3
InChIKeyDLASQTAUMGOBNB-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.35
Rot. Bonds3

About 2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine

2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine (PubChem CID 102902835) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine
PubChem CID102902835
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine
SMILESCC(=CC1CCC2(CCCCC2)O1)CC1CCCCN1
InChIInChI=1S/C18H31NO/c1-15(13-16-7-3-6-12-19-16)14-17-8-11-18(20-17)9-4-2-5-10-18/h14,16-17,19H,2-13H2,1H3
InChIKeyDLASQTAUMGOBNB-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.35
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

5-fluoro-1-(2-methylpropyl)spiro[3a,6-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 69859690
12-(1-Cyclohexylprop-1-en-2-yl)-13,19,21,27-tetramethyl-11,28-dioxa-4-azabicyclo[22.3.1]octacos-18-ene
CID 66657245
(4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428982
(7R)-4,7-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 172575137
7-methoxy-N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-amine
CID 177783990
4,7-Dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177956180
N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-2-methyloxan-4-amine
CID 64100349
N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]cyclopropanamine
CID 82836811
(E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine
CID 82836927
(E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 82837040
N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 82837153
(E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine
CID 82838511

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine?
The IUPAC name of 2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine (CID 102902835) is 2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine.
What is the SMILES notation for 2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine?
The canonical SMILES for 2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine is CC(=CC1CCC2(CCCCC2)O1)CC1CCCCN1.
What is the InChIKey of 2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine?
The InChIKey is DLASQTAUMGOBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-15(13-16-7-3-6-12-19-16)14-17-8-11-18(20-17)9-4-2-5-10-18/h14,16-17,19H,2-13H2,1H3.
What are the key properties of 2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine?
2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine has a molecular weight of 277.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine is sourced from PubChem (CID 102902835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).