1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]

C16H21NO — CID 70607000

IUPAC1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
SMILESc1ccc2c(c1)CC1(CCN(CC3CC3)CC1)O2
InChIInChI=1S/C16H21NO/c1-2-4-15-14(3-1)11-16(18-15)7-9-17(10-8-16)12-13-5-6-13/h1-4,13H,5-12H2
InChIKeyRBPKROAWYPERFE-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.87
Rot. Bonds2

About 1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]

1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 70607000) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID70607000
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
SMILESc1ccc2c(c1)CC1(CCN(CC3CC3)CC1)O2
InChIInChI=1S/C16H21NO/c1-2-4-15-14(3-1)11-16(18-15)7-9-17(10-8-16)12-13-5-6-13/h1-4,13H,5-12H2
InChIKeyRBPKROAWYPERFE-UHFFFAOYSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[3H-1-benzofuran-2,1'-cyclopropane]
CID 146627371
1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 58035370
1'-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 134243020
1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
CID 66821989
2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione
CID 19085907
1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 18700230
8-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 97278271
1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
4,4-difluoro-1-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)piperidine
CID 72897669
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 97376409
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide
CID 97376614
1'-(cyclopropylmethyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-ol
CID 141074704

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine] (CID 70607000) is 1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine] is c1ccc2c(c1)CC1(CCN(CC3CC3)CC1)O2.
What is the InChIKey of 1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is RBPKROAWYPERFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-4-15-14(3-1)11-16(18-15)7-9-17(10-8-16)12-13-5-6-13/h1-4,13H,5-12H2.
What are the key properties of 1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]?
1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 243.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 70607000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).