[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

C19H23ClN4O — CID 120751532

IUPAC[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(CN2CCC(c3cccc4ccccc34)CC2)no1
InChIInChI=1S/C19H22N4O.ClH/c20-12-19-21-18(22-24-19)13-23-10-8-15(9-11-23)17-7-3-5-14-4-1-2-6-16(14)17;/h1-7,15H,8-13,20H2;1H
InChIKeyQDQRLIQVBODSSD-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.48
Rot. Bonds4

About [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 120751532) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID120751532
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(CN2CCC(c3cccc4ccccc34)CC2)no1
InChIInChI=1S/C19H22N4O.ClH/c20-12-19-21-18(22-24-19)13-23-10-8-15(9-11-23)17-7-3-5-14-4-1-2-6-16(14)17;/h1-7,15H,8-13,20H2;1H
InChIKeyQDQRLIQVBODSSD-UHFFFAOYSA-N
XLogP3.48
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 120751532) is [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is Cl.NCc1nc(CN2CCC(c3cccc4ccccc34)CC2)no1.
What is the InChIKey of [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is QDQRLIQVBODSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.ClH/c20-12-19-21-18(22-24-19)13-23-10-8-15(9-11-23)17-7-3-5-14-4-1-2-6-16(14)17;/h1-7,15H,8-13,20H2;1H.
What are the key properties of [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 120751532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).