1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane

C17H29NO — CID 142368757

IUPAC1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane
SMILESC1=CCC=CC(OCCN2CCCCC2)=C1.CCC
InChIInChI=1S/C14H21NO.C3H8/c1-2-5-9-14(8-4-1)16-13-12-15-10-6-3-7-11-15;1-3-2/h1,4-5,8-9H,2-3,6-7,10-13H2;3H2,1-2H3
InChIKeyIWZOAWTXVHHDJY-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.31
Rot. Bonds4

About 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane

1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane (PubChem CID 142368757) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane.

Molecular Properties

Compound Name1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane
PubChem CID142368757
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane
SMILESC1=CCC=CC(OCCN2CCCCC2)=C1.CCC
InChIInChI=1S/C14H21NO.C3H8/c1-2-5-9-14(8-4-1)16-13-12-15-10-6-3-7-11-15;1-3-2/h1,4-5,8-9H,2-3,6-7,10-13H2;3H2,1-2H3
InChIKeyIWZOAWTXVHHDJY-UHFFFAOYSA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(6-Fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 173164077
1-Butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502498
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)azepane
CID 21515351
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
1-[2-(7-Methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine
CID 90905041
1-[2-(4-Ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine
CID 123636866
1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine
CID 134485009
1-Methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 139541228
1-[2-(4-Butan-2-ylcyclohexa-1,5-dien-1-yl)oxyethyl]-3-methylpiperidine
CID 141773509
ethane;1-[2-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]oxyethyl]piperidine
CID 141825118

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane?
The IUPAC name of 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane (CID 142368757) is 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane.
What is the SMILES notation for 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane?
The canonical SMILES for 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane is C1=CCC=CC(OCCN2CCCCC2)=C1.CCC.
What is the InChIKey of 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane?
The InChIKey is IWZOAWTXVHHDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C3H8/c1-2-5-9-14(8-4-1)16-13-12-15-10-6-3-7-11-15;1-3-2/h1,4-5,8-9H,2-3,6-7,10-13H2;3H2,1-2H3.
What are the key properties of 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane?
1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane has a molecular weight of 263.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine;propane is sourced from PubChem (CID 142368757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).