1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine]

C19H21NO — CID 19045403

IUPAC1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine]
SMILESc1ccc(CN2CCCC3(Cc4ccccc4O3)C2)cc1
InChIInChI=1S/C19H21NO/c1-2-7-16(8-3-1)14-20-12-6-11-19(15-20)13-17-9-4-5-10-18(17)21-19/h1-5,7-10H,6,11-15H2
InChIKeyMGQNLYQAFGAIJK-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.66
Rot. Bonds2

About 1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine]

1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine] (PubChem CID 19045403) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine]
PubChem CID19045403
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine]
SMILESc1ccc(CN2CCCC3(Cc4ccccc4O3)C2)cc1
InChIInChI=1S/C19H21NO/c1-2-7-16(8-3-1)14-20-12-6-11-19(15-20)13-17-9-4-5-10-18(17)21-19/h1-5,7-10H,6,11-15H2
InChIKeyMGQNLYQAFGAIJK-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
(2S)-1'-benzylspiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-azepane]
CID 95854167
1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 130157727
(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 95043156
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526
(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 95799880
spiro[3H-1-benzofuran-2,1'-cyclopropane]
CID 146627371
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol
CID 132941698
(E)-3-(1'-benzyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 51356716
1'-methyl-4-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]
CID 46965684

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine]?
The IUPAC name of 1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine] (CID 19045403) is 1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine].
What is the SMILES notation for 1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine]?
The canonical SMILES for 1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine] is c1ccc(CN2CCCC3(Cc4ccccc4O3)C2)cc1.
What is the InChIKey of 1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine]?
The InChIKey is MGQNLYQAFGAIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-7-16(8-3-1)14-20-12-6-11-19(15-20)13-17-9-4-5-10-18(17)21-19/h1-5,7-10H,6,11-15H2.
What are the key properties of 1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine]?
1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine] has a molecular weight of 279.38 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine] is sourced from PubChem (CID 19045403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).