1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]

C16H25NO — CID 70810453

IUPAC1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
SMILESCC1OC2(CCN(C(C)C)CC2)C2C=CC=CC12
InChIInChI=1S/C16H25NO/c1-12(2)17-10-8-16(9-11-17)15-7-5-4-6-14(15)13(3)18-16/h4-7,12-15H,8-11H2,1-3H3
InChIKeyFKWLWVUZCKWUAK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.01
Rot. Bonds1

About 1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]

1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] (PubChem CID 70810453) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
PubChem CID70810453
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
SMILESCC1OC2(CCN(C(C)C)CC2)C2C=CC=CC12
InChIInChI=1S/C16H25NO/c1-12(2)17-10-8-16(9-11-17)15-7-5-4-6-14(15)13(3)18-16/h4-7,12-15H,8-11H2,1-3H3
InChIKeyFKWLWVUZCKWUAK-UHFFFAOYSA-N
XLogP3.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] with MolForge

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Related Compounds

8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene
CID 162769943
9-methyl-6-propan-2-yl-6-azaspiro[2.6]nonane
CID 156876196
8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-4-ol
CID 165460008
3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 140910769
(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
CID 174154195
3,8-di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-4-ol
CID 170052248
1,4-di(propan-2-yl)piperidin-4-amine
CID 167417701
3,5,5-trimethyl-1-propan-2-ylazepane
CID 58110206
(2R)-2-methyl-7-propan-2-yl-7-azaspiro[2.6]nonane
CID 118287814
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] (CID 70810453) is 1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] is CC1OC2(CCN(C(C)C)CC2)C2C=CC=CC12.
What is the InChIKey of 1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is FKWLWVUZCKWUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)17-10-8-16(9-11-17)15-7-5-4-6-14(15)13(3)18-16/h4-7,12-15H,8-11H2,1-3H3.
What are the key properties of 1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 247.38 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 70810453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).