(3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine

C12H19NO — CID 143089643

IUPAC(3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine
SMILESC1=CC(OC[C@@H]2CCCNC2)=CCC1
InChIInChI=1S/C12H19NO/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h2,6-7,11,13H,1,3-5,8-10H2/t11-/m1/s1
InChIKeySISAKZLNRKYEKL-LLVKDONJSA-N
MW193.29 g/mol
LogP2.24
Rot. Bonds3

About (3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine

(3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine (PubChem CID 143089643) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine
PubChem CID143089643
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine
SMILESC1=CC(OC[C@@H]2CCCNC2)=CCC1
InChIInChI=1S/C12H19NO/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h2,6-7,11,13H,1,3-5,8-10H2/t11-/m1/s1
InChIKeySISAKZLNRKYEKL-LLVKDONJSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-Fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 143089574
4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
CID 143759830
3-[[6-Methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine
CID 162598803
3-[[4-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]piperidine
CID 162598812
4-[2-(Cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine
CID 170614898
4-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine
CID 67620970
3-(2H-pyran-2-yl)piperidine
CID 140987781
3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine
CID 142028461
N-[[5-(piperidin-3-ylmethoxy)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine
CID 142041414
3-(Cyclohexa-1,5-dien-1-yloxymethyl)piperidine
CID 142125077
3-(Cyclohexa-1,5-dien-1-yloxymethyl)piperidine;molecular hydrogen
CID 142125212
ethane;3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine;propane
CID 143089618

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine?
The IUPAC name of (3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine (CID 143089643) is (3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine.
What is the SMILES notation for (3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine?
The canonical SMILES for (3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine is C1=CC(OC[C@@H]2CCCNC2)=CCC1.
What is the InChIKey of (3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine?
The InChIKey is SISAKZLNRKYEKL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h2,6-7,11,13H,1,3-5,8-10H2/t11-/m1/s1.
What are the key properties of (3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine?
(3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine has a molecular weight of 193.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclohexa-1,5-dien-1-yloxymethyl)piperidine is sourced from PubChem (CID 143089643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).