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

C14H21NO — CID 142368758

IUPAC1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine
SMILESC1=CCC=CC(OCCN2CCCCC2)=C1
InChIInChI=1S/C14H21NO/c1-2-5-9-14(8-4-1)16-13-12-15-10-6-3-7-11-15/h1,4-5,8-9H,2-3,6-7,10-13H2
InChIKeyKYXNIZSTICPPQZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds4

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

1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine (PubChem CID 142368758) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine.

Molecular Properties

Compound Name1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine
PubChem CID142368758
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine
SMILESC1=CCC=CC(OCCN2CCCCC2)=C1
InChIInChI=1S/C14H21NO/c1-2-5-9-14(8-4-1)16-13-12-15-10-6-3-7-11-15/h1,4-5,8-9H,2-3,6-7,10-13H2
InChIKeyKYXNIZSTICPPQZ-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
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-[2-(2,6-Difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 173184277
1-Butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502498
4-[2-(1-Piperidinyl)ethoxy]phenylmagnesium bromide
CID 15458268
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)pyrrolidine
CID 17915424
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)azepane
CID 21515351
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
Magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide
CID 88347582
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-(Cyclohepta-1,3,5,6-tetraen-1-ylmethoxy)ethyl]piperidine
CID 129142309

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine?
The IUPAC name of 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine (CID 142368758) is 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine.
What is the SMILES notation for 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine?
The canonical SMILES for 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine is C1=CCC=CC(OCCN2CCCCC2)=C1.
What is the InChIKey of 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine?
The InChIKey is KYXNIZSTICPPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-5-9-14(8-4-1)16-13-12-15-10-6-3-7-11-15/h1,4-5,8-9H,2-3,6-7,10-13H2.
What are the key properties of 1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine?
1-(2-cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.89, 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 is sourced from PubChem (CID 142368758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).