spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]

C13H19NO — CID 142283443

IUPACspiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]
SMILESC1=C2CCC3(CCNCC3)OC2=CCC1
InChIInChI=1S/C13H19NO/c1-2-4-12-11(3-1)5-6-13(15-12)7-9-14-10-8-13/h3-4,14H,1-2,5-10H2
InChIKeyJXWKOQOCPNAWHV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds

About spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]

spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine] (PubChem CID 142283443) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine].

Molecular Properties

Compound Namespiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]
PubChem CID142283443
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Namespiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]
SMILESC1=C2CCC3(CCNCC3)OC2=CCC1
InChIInChI=1S/C13H19NO/c1-2-4-12-11(3-1)5-6-13(15-12)7-9-14-10-8-13/h3-4,14H,1-2,5-10H2
InChIKeyJXWKOQOCPNAWHV-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane
CID 90831708
1,5-dihydrospiro[4H-2-benzopyran-1,4'-piperidine]
CID 21268197
spiro[5,6-dihydro-4H-2-benzofuran-1,4'-piperidine]
CID 69871500
Spiro[3,4,5,6-tetrahydroisochromene-1,4'-piperidine]
CID 70219054
4-(Cyclohexa-2,5-dien-1-ylmethyl)spiro[isochromene-3,4'-piperidine]
CID 88336537
ethane;(2E)-2-ethylidene-3-methylidene-1-oxa-9-azaspiro[5.5]undecane;methanamine
CID 141812194
1'-(2-Bromoethyl)spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]
CID 142283385
2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine
CID 142283425
4-Ethylspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]
CID 143559720
6-Methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine]
CID 167058111
(2E)-2-ethylidene-3-methylidene-1-oxa-9-azaspiro[5.5]undecane
CID 141812195

Frequently Asked Questions

What is the IUPAC name of spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]?
The IUPAC name of spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine] (CID 142283443) is spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine].
What is the SMILES notation for spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]?
The canonical SMILES for spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine] is C1=C2CCC3(CCNCC3)OC2=CCC1.
What is the InChIKey of spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]?
The InChIKey is JXWKOQOCPNAWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-4-12-11(3-1)5-6-13(15-12)7-9-14-10-8-13/h3-4,14H,1-2,5-10H2.
What are the key properties of spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]?
spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine] has a molecular weight of 205.30 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine] is sourced from PubChem (CID 142283443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).