2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine

C17H29NO — CID 102902836

IUPAC2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine
SMILESCC(=CC1CCC2(CCCC2)O1)CC1CCCCN1
InChIInChI=1S/C17H29NO/c1-14(12-15-6-2-5-11-18-15)13-16-7-10-17(19-16)8-3-4-9-17/h13,15-16,18H,2-12H2,1H3
InChIKeyWLFPRPUXDPDKMC-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.96
Rot. Bonds3

About 2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine

2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine (PubChem CID 102902836) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine
PubChem CID102902836
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine
SMILESCC(=CC1CCC2(CCCC2)O1)CC1CCCCN1
InChIInChI=1S/C17H29NO/c1-14(12-15-6-2-5-11-18-15)13-16-7-10-17(19-16)8-3-4-9-17/h13,15-16,18H,2-12H2,1H3
InChIKeyWLFPRPUXDPDKMC-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.96
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

(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
4,7-Dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177956180
(E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 82837040
N-[(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)prop-2-enyl]cyclopropanamine
CID 82839107
(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 82839429
(Z)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpent-3-en-1-amine
CID 102902707
4-(1-Oxaspiro[4.5]decan-2-ylmethylidene)piperidine
CID 102902804
4-(1-Oxaspiro[4.4]nonan-2-ylmethylidene)piperidine
CID 102902806
(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine
CID 102902809
4-(1-Oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine
CID 102902814
3-(1-Oxaspiro[4.5]decan-2-ylmethylidene)cyclopentan-1-amine
CID 102902823

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine?
The IUPAC name of 2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine (CID 102902836) is 2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine.
What is the SMILES notation for 2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine?
The canonical SMILES for 2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine is CC(=CC1CCC2(CCCC2)O1)CC1CCCCN1.
What is the InChIKey of 2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine?
The InChIKey is WLFPRPUXDPDKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(12-15-6-2-5-11-18-15)13-16-7-10-17(19-16)8-3-4-9-17/h13,15-16,18H,2-12H2,1H3.
What are the key properties of 2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine?
2-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine has a molecular weight of 263.42 g/mol, XLogP of 3.96, 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[4.4]nonan-2-yl)prop-2-enyl]piperidine is sourced from PubChem (CID 102902836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).