1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide

C17H19BrN2O — CID 21428792

IUPAC1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide
SMILESBr.c1cncc(C2OC3(CCNCC3)c3ccccc32)c1
InChIInChI=1S/C17H18N2O.BrH/c1-2-6-15-14(5-1)16(13-4-3-9-19-12-13)20-17(15)7-10-18-11-8-17;/h1-6,9,12,16,18H,7-8,10-11H2;1H
InChIKeyHSJLDHNMMHDPAK-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.36
Rot. Bonds1

About 1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide

1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide (PubChem CID 21428792) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide.

Molecular Properties

Compound Name1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide
PubChem CID21428792
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide
SMILESBr.c1cncc(C2OC3(CCNCC3)c3ccccc32)c1
InChIInChI=1S/C17H18N2O.BrH/c1-2-6-15-14(5-1)16(13-4-3-9-19-12-13)20-17(15)7-10-18-11-8-17;/h1-6,9,12,16,18H,7-8,10-11H2;1H
InChIKeyHSJLDHNMMHDPAK-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 21428781
1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 163444417
2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol
CID 83854136
(4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 101385535
3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973
N,N-diethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 71193661
(1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane]
CID 164668462
(2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane
CID 126741056
3-(1-oxaspiro[2.5]octan-2-yl)pyridine
CID 10726324
(1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole
CID 177219714
4-pyridin-3-ylazepane
CID 83262248
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide?
The IUPAC name of 1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide (CID 21428792) is 1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide.
What is the SMILES notation for 1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide?
The canonical SMILES for 1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide is Br.c1cncc(C2OC3(CCNCC3)c3ccccc32)c1.
What is the InChIKey of 1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide?
The InChIKey is HSJLDHNMMHDPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O.BrH/c1-2-6-15-14(5-1)16(13-4-3-9-19-12-13)20-17(15)7-10-18-11-8-17;/h1-6,9,12,16,18H,7-8,10-11H2;1H.
What are the key properties of 1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide?
1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide has a molecular weight of 347.26 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide is sourced from PubChem (CID 21428792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).