1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine

C18H26N2O — CID 66364587

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine
SMILESc1ccc2c(c1)CC(CN1CCC(C3CCCN3)CC1)O2
InChIInChI=1S/C18H26N2O/c1-2-6-18-15(4-1)12-16(21-18)13-20-10-7-14(8-11-20)17-5-3-9-19-17/h1-2,4,6,14,16-17,19H,3,5,7-13H2
InChIKeyYGMYKWXHIFLLKS-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.45
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine (PubChem CID 66364587) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine
PubChem CID66364587
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine
SMILESc1ccc2c(c1)CC(CN1CCC(C3CCCN3)CC1)O2
InChIInChI=1S/C18H26N2O/c1-2-6-18-15(4-1)12-16(21-18)13-20-10-7-14(8-11-20)17-5-3-9-19-17/h1-2,4,6,14,16-17,19H,3,5,7-13H2
InChIKeyYGMYKWXHIFLLKS-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4aS,7aS)-6-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682957
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 66363591
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 80675136
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 80667627
1-(2-chloroethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 66364035
3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 64952160
N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine
CID 66365727
5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine
CID 64947751
10-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64951147
N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 66364759
2-(2,3-dihydro-1-benzofuran-2-yl)piperidine
CID 54034431

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine (CID 66364587) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine is c1ccc2c(c1)CC(CN1CCC(C3CCCN3)CC1)O2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine?
The InChIKey is YGMYKWXHIFLLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-6-18-15(4-1)12-16(21-18)13-20-10-7-14(8-11-20)17-5-3-9-19-17/h1-2,4,6,14,16-17,19H,3,5,7-13H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine has a molecular weight of 286.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 66364587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).