1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride

C14H27ClN4O — CID 119914755

IUPAC1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCCN(Cc2noc(C(C)(C)C)n2)C1.Cl
InChIInChI=1S/C14H26N4O.ClH/c1-14(2,3)13-16-12(17-19-13)10-18-7-5-6-11(9-18)8-15-4;/h11,15H,5-10H2,1-4H3;1H
InChIKeyYDRHPIPQGLZUGO-UHFFFAOYSA-N
MW302.85 g/mol
LogP2.22
Rot. Bonds4

About 1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride

1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 119914755) has the molecular formula C14H27ClN4O and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID119914755
Molecular FormulaC14H27ClN4O
Molecular Weight302.85 g/mol
Exact Mass302.19
IUPAC Name1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCCN(Cc2noc(C(C)(C)C)n2)C1.Cl
InChIInChI=1S/C14H26N4O.ClH/c1-14(2,3)13-16-12(17-19-13)10-18-7-5-6-11(9-18)8-15-4;/h11,15H,5-10H2,1-4H3;1H
InChIKeyYDRHPIPQGLZUGO-UHFFFAOYSA-N
XLogP2.22
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride with MolForge

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Related Compounds

N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 94032700
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119920036
N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541
2-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 62690798
N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 54959399
2-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847441
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908645
5-tert-butyl-3-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 60977909
N-(2-aminoethyl)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917197
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 55256456
5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95973173
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241895

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride (CID 119914755) is 1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride is CNCC1CCCN(Cc2noc(C(C)(C)C)n2)C1.Cl.
What is the InChIKey of 1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is YDRHPIPQGLZUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.ClH/c1-14(2,3)13-16-12(17-19-13)10-18-7-5-6-11(9-18)8-15-4;/h11,15H,5-10H2,1-4H3;1H.
What are the key properties of 1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride?
1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119914755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).