5-methylspiro[3H-1-benzofuran-2,4'-piperidine]

C13H17NO — CID 59833648

IUPAC5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCc1ccc2c(c1)CC1(CCNCC1)O2
InChIInChI=1S/C13H17NO/c1-10-2-3-12-11(8-10)9-13(15-12)4-6-14-7-5-13/h2-3,8,14H,4-7,9H2,1H3
InChIKeyGTFGKCXKGCAGLO-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.05
Rot. Bonds

About 5-methylspiro[3H-1-benzofuran-2,4'-piperidine]

5-methylspiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 59833648) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-methylspiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID59833648
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCc1ccc2c(c1)CC1(CCNCC1)O2
InChIInChI=1S/C13H17NO/c1-10-2-3-12-11(8-10)9-13(15-12)4-6-14-7-5-13/h2-3,8,14H,4-7,9H2,1H3
InChIKeyGTFGKCXKGCAGLO-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046008
5-iodospiro[3H-1-benzofuran-2,4'-piperidine]
CID 13318076
5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
CID 68958919
ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 145338251
5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 170003759
6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]
CID 10560055
N,6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114712492
ethane;2-ethyl-2,5-dimethyl-3H-1-benzofuran
CID 145338574
5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride
CID 175982491
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047
3-(spiro[3H-1-benzofuran-2,4'-piperidine]-5-ylamino)piperidine-2,6-dione
CID 172603648
6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride
CID 121207060

Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 5-methylspiro[3H-1-benzofuran-2,4'-piperidine] (CID 59833648) is 5-methylspiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 5-methylspiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 5-methylspiro[3H-1-benzofuran-2,4'-piperidine] is Cc1ccc2c(c1)CC1(CCNCC1)O2.
What is the InChIKey of 5-methylspiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is GTFGKCXKGCAGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-2-3-12-11(8-10)9-13(15-12)4-6-14-7-5-13/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 5-methylspiro[3H-1-benzofuran-2,4'-piperidine]?
5-methylspiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 203.29 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 59833648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).