1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride

C16H25Cl2N5O — CID 120753091

IUPAC1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
SMILESCc1cccc(NC2CCN(Cc3noc(CN)n3)CC2)c1.Cl.Cl
InChIInChI=1S/C16H23N5O.2ClH/c1-12-3-2-4-14(9-12)18-13-5-7-21(8-6-13)11-15-19-16(10-17)22-20-15;;/h2-4,9,13,18H,5-8,10-11,17H2,1H3;2*1H
InChIKeyWJUSCRDBFHKMSR-UHFFFAOYSA-N
MW374.32 g/mol
LogP2.76
Rot. Bonds5

About 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride

1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride (PubChem CID 120753091) has the molecular formula C16H25Cl2N5O and a molecular weight of 374.32 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
PubChem CID120753091
Molecular FormulaC16H25Cl2N5O
Molecular Weight374.32 g/mol
Exact Mass373.14
IUPAC Name1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
SMILESCc1cccc(NC2CCN(Cc3noc(CN)n3)CC2)c1.Cl.Cl
InChIInChI=1S/C16H23N5O.2ClH/c1-12-3-2-4-14(9-12)18-13-5-7-21(8-6-13)11-15-19-16(10-17)22-20-15;;/h2-4,9,13,18H,5-8,10-11,17H2,1H3;2*1H
InChIKeyWJUSCRDBFHKMSR-UHFFFAOYSA-N
XLogP2.76
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine
CID 146121498
[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751532
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 120750699
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride
CID 120753085
N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
CID 4035657
[3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752666
[3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752876
N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755634
[3-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751593
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 120753086
2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892722
[3-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752858

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride (CID 120753091) is 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride is Cc1cccc(NC2CCN(Cc3noc(CN)n3)CC2)c1.Cl.Cl.
What is the InChIKey of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride?
The InChIKey is WJUSCRDBFHKMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O.2ClH/c1-12-3-2-4-14(9-12)18-13-5-7-21(8-6-13)11-15-19-16(10-17)22-20-15;;/h2-4,9,13,18H,5-8,10-11,17H2,1H3;2*1H.
What are the key properties of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride?
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride has a molecular weight of 374.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 120753091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).