N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine

C20H25N3O — CID 97108190

IUPACN-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESC[C@@H](NC1CCN(c2ccccn2)CC1)[C@@H]1COc2ccccc21
InChIInChI=1S/C20H25N3O/c1-15(18-14-24-19-7-3-2-6-17(18)19)22-16-9-12-23(13-10-16)20-8-4-5-11-21-20/h2-8,11,15-16,18,22H,9-10,12-14H2,1H3/t15-,18+/m1/s1
InChIKeyVQUZHJIGVSBJBN-QAPCUYQASA-N
MW323.44 g/mol
LogP3.20
Rot. Bonds4

About N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine

N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 97108190) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine
PubChem CID97108190
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESC[C@@H](NC1CCN(c2ccccn2)CC1)[C@@H]1COc2ccccc21
InChIInChI=1S/C20H25N3O/c1-15(18-14-24-19-7-3-2-6-17(18)19)22-16-9-12-23(13-10-16)20-8-4-5-11-21-20/h2-8,11,15-16,18,22H,9-10,12-14H2,1H3/t15-,18+/m1/s1
InChIKeyVQUZHJIGVSBJBN-QAPCUYQASA-N
XLogP3.20
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine with MolForge

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Related Compounds

N,N-dimethyl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propanamide
CID 43778088
2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
CID 103387990
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65047652
N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine
CID 115723624
N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119164879
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 97108049
1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine
CID 97230108
N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 81338605
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine (CID 97108190) is N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine is C[C@@H](NC1CCN(c2ccccn2)CC1)[C@@H]1COc2ccccc21.
What is the InChIKey of N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is VQUZHJIGVSBJBN-QAPCUYQASA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(18-14-24-19-7-3-2-6-17(18)19)22-16-9-12-23(13-10-16)20-8-4-5-11-21-20/h2-8,11,15-16,18,22H,9-10,12-14H2,1H3/t15-,18+/m1/s1.
What are the key properties of N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine?
N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 323.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 97108190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).