1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine

C17H29NO — CID 117060396

IUPAC1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine
SMILESC=C(C)C1CC=C(C)C(OCCN2CCCCC2)C1
InChIInChI=1S/C17H29NO/c1-14(2)16-8-7-15(3)17(13-16)19-12-11-18-9-5-4-6-10-18/h7,16-17H,1,4-6,8-13H2,2-3H3
InChIKeyCUGYMFCMKTUVSF-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.79
Rot. Bonds5

About 1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine

1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine (PubChem CID 117060396) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine
PubChem CID117060396
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine
SMILESC=C(C)C1CC=C(C)C(OCCN2CCCCC2)C1
InChIInChI=1S/C17H29NO/c1-14(2)16-8-7-15(3)17(13-16)19-12-11-18-9-5-4-6-10-18/h7,16-17H,1,4-6,8-13H2,2-3H3
InChIKeyCUGYMFCMKTUVSF-UHFFFAOYSA-N
XLogP3.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-Isopropenyl-1-cyclohexen-1-yl)methyl]-2,6-dimethylmorpholine
CID 2845488
1-Methyl-1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidin-1-ium
CID 2828546
Cambridge id 5421199
CID 74229167
4-[4-(1-Ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine
CID 134376383
N,N-diethyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethanamine
CID 338088
4-(Cyclohex-2-en-1-yloxymethyl)-1-methylpiperidine
CID 68393346
4-(2-Cyclohex-3-en-1-ylethyl)-2,6-dimethylmorpholine
CID 123486935
4-[(4-Methylcyclohex-3-en-1-yl)methyl]morpholine
CID 138722433
1-[2-(4-Tert-butylcyclohex-2-en-1-yl)oxy-2-methylpropyl]piperidine
CID 141773417
2-Ethyl-1-[2-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyethyl]piperidine
CID 141773516
3-Methyl-1-[2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine
CID 141773546
1-[2-[4-(2,4-Dimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxyethyl]-3-methylpiperidine
CID 141773616

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine?
The IUPAC name of 1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine (CID 117060396) is 1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine.
What is the SMILES notation for 1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine?
The canonical SMILES for 1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine is C=C(C)C1CC=C(C)C(OCCN2CCCCC2)C1.
What is the InChIKey of 1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine?
The InChIKey is CUGYMFCMKTUVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)16-8-7-15(3)17(13-16)19-12-11-18-9-5-4-6-10-18/h7,16-17H,1,4-6,8-13H2,2-3H3.
What are the key properties of 1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine?
1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine has a molecular weight of 263.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine is sourced from PubChem (CID 117060396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).