2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine

C15H23NO — CID 143554033

IUPAC2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine
SMILESCOCC(C1=CC=CCC=C1)C1CCCCN1
InChIInChI=1S/C15H23NO/c1-17-12-14(15-10-6-7-11-16-15)13-8-4-2-3-5-9-13/h2,4-5,8-9,14-16H,3,6-7,10-12H2,1H3
InChIKeyCWUQVYFJZZFUTL-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.83
Rot. Bonds4

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

2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine (PubChem CID 143554033) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine.

Molecular Properties

Compound Name2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine
PubChem CID143554033
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine
SMILESCOCC(C1=CC=CCC=C1)C1CCCCN1
InChIInChI=1S/C15H23NO/c1-17-12-14(15-10-6-7-11-16-15)13-8-4-2-3-5-9-13/h2,4-5,8-9,14-16H,3,6-7,10-12H2,1H3
InChIKeyCWUQVYFJZZFUTL-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine
CID 155149784
2-(3,4,5a,6,7,9a-Hexahydrodibenzofuran-4-yl)piperidine
CID 156158123
(2S)-2-[(4-chloro-6-methylcyclohexa-1,3-dien-1-yl)methyl]-4-methoxypiperidine
CID 163712113
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
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N-[cyclopenten-1-yl(oxan-4-yl)methyl]ethanamine
CID 62904966
N-[cyclopenten-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 62904967
1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62905142
N-[cyclohexen-1-yl(oxan-4-yl)methyl]ethanamine
CID 62907585
1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63015054
N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine
CID 63015056
N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 63015236
N-(cyclohex-3-en-1-ylmethyl)-2-propyloxan-4-amine
CID 64102069

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine?
The IUPAC name of 2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine (CID 143554033) is 2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine.
What is the SMILES notation for 2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine?
The canonical SMILES for 2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine is COCC(C1=CC=CCC=C1)C1CCCCN1.
What is the InChIKey of 2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine?
The InChIKey is CWUQVYFJZZFUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-17-12-14(15-10-6-7-11-16-15)13-8-4-2-3-5-9-13/h2,4-5,8-9,14-16H,3,6-7,10-12H2,1H3.
What are the key properties of 2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine?
2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine has a molecular weight of 233.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine is sourced from PubChem (CID 143554033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).