3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane

C18H31NO — CID 143089637

IUPAC3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane
SMILESC1=C(OCC2CCCNC2)C=C(C2CCC2)CC1.CC
InChIInChI=1S/C16H25NO.C2H6/c1-5-14(6-1)15-7-2-8-16(10-15)18-12-13-4-3-9-17-11-13;1-2/h8,10,13-14,17H,1-7,9,11-12H2;1-2H3
InChIKeyVVUABKXSPTXSCB-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.43
Rot. Bonds4

About 3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane

3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane (PubChem CID 143089637) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane.

Molecular Properties

Compound Name3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane
PubChem CID143089637
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane
SMILESC1=C(OCC2CCCNC2)C=C(C2CCC2)CC1.CC
InChIInChI=1S/C16H25NO.C2H6/c1-5-14(6-1)15-7-2-8-16(10-15)18-12-13-4-3-9-17-11-13;1-2/h8,10,13-14,17H,1-7,9,11-12H2;1-2H3
InChIKeyVVUABKXSPTXSCB-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine
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2-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 86318074
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
3-[[4-[3,5-dimethyl-4-(piperidin-3-ylmethoxy)phenyl]sulfanyl-2,6-dimethylphenoxy]methyl]piperidine
CID 142119956
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride
CID 68594805
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117436703
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane?
The IUPAC name of 3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane (CID 143089637) is 3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane.
What is the SMILES notation for 3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane?
The canonical SMILES for 3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane is C1=C(OCC2CCCNC2)C=C(C2CCC2)CC1.CC.
What is the InChIKey of 3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane?
The InChIKey is VVUABKXSPTXSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.C2H6/c1-5-14(6-1)15-7-2-8-16(10-15)18-12-13-4-3-9-17-11-13;1-2/h8,10,13-14,17H,1-7,9,11-12H2;1-2H3.
What are the key properties of 3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane?
3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane has a molecular weight of 277.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclobutylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine;ethane is sourced from PubChem (CID 143089637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).